In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2011 | 17 | 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) | 1.31 | 7.12 | -178.29 | 5 | 3 | 3 | 37 | 242.431 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.31 | 4.88 | -82.63 | 4 | 3 | 2 | 35 | 241.423 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.31 | 4.9 | -93.15 | 4 | 3 | 2 | 35 | 241.423 | 5 | ↓ |