In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 8th, 2009 | 24 | 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) | 3.78 | 13.64 | -43.08 | 1 | 4 | 1 | 26 | 321.448 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.78 | 11.42 | -8.43 | 0 | 4 | 0 | 24 | 320.44 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.78 | 14.1 | -91.1 | 2 | 4 | 2 | 27 | 322.456 | 4 | ↓ |