In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 7th, 2009 | 16 | Yes |
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) | 2.03 | 4.25 | -42.78 | 3 | 2 | 1 | 31 | 221.368 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.03 | 6.38 | -27.3 | 3 | 2 | 1 | 30 | 221.368 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.03 | 6.25 | -121.9 | 4 | 2 | 2 | 32 | 222.376 | 6 | ↓ |