In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 28th, 2009 | 21 | Yes |
Popular Name: (2S)-N-(3-methoxypropyl)-2-[3-[(1R)-1-(methylamino)ethyl]phenoxy]propanamide (2S)-N-(3-methoxypropyl)-2-[3-[(…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.81 | 5.16 | -52.3 | 3 | 5 | 1 | 64 | 295.403 | 9 | ↓ |
Popular Name: (2S)-2-[3-[(1R)-1-aminoethyl]phenoxy]-N,N-diethyl-propanamide (2S)-2-[3-[(1R)-1-aminoethyl]phe…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 0.30 | 6.25 | -53.68 | 3 | 4 | 1 | 57 | 265.377 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.30 | 5.92 | -13.4 | 2 | 4 | 0 | 56 | 264.369 | 6 | ↓ |
Popular Name: (2R)-2-[3-[(1R)-1-aminoethyl]phenoxy]-N-pentyl-propanamide (2R)-2-[3-[(1R)-1-aminoethyl]phe…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.25 | 5.76 | -61.85 | 4 | 4 | 1 | 66 | 279.404 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.25 | 5.43 | -13.86 | 3 | 4 | 0 | 64 | 278.396 | 8 | ↓ |