In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 20 | Yes |
Popular Name: 4-[(3S)-3-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]butyl]phenol 4-[(3S)-3-[[(1S,8R)-2,3,5,6,7,8-…
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) | 2.81 | 4.42 | -43.81 | 3 | 3 | 1 | 40 | 275.416 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.81 | 6.92 | -113.87 | 4 | 3 | 2 | 41 | 276.424 | 5 | ↓ |