In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 20 | Yes |
Popular Name: (1R,8aR)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-[(1S)-1-(3,4-dichloro…
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) | 4.38 | 9.33 | -34.4 | 2 | 2 | 1 | 16 | 314.28 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.38 | 8.18 | -42.08 | 2 | 2 | 1 | 20 | 314.28 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.38 | 10.43 | -117.93 | 3 | 2 | 2 | 21 | 315.288 | 3 | ↓ |