In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 4th, 2009 | 21 | Yes |
Popular Name: (1R)-N,N-diethyl-1-phenyl-N'-[[(2S)-tetrahydropyran-2-yl]methyl]ethane-1,2-diamine (1R)-N,N-diethyl-1-phenyl-N'-[[(…
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) | 2.99 | 8.34 | -27.69 | 2 | 3 | 1 | 26 | 291.459 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.99 | 8.36 | -1.96 | 1 | 3 | 0 | 24 | 290.451 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.99 | 9.14 | -110.88 | 3 | 3 | 2 | 30 | 292.467 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.99 | 7.48 | -35.96 | 2 | 3 | 1 | 29 | 291.459 | 8 | ↓ |