In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 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) | 2.05 | 4.61 | -43.47 | 1 | 6 | 1 | 58 | 375.946 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.05 | 6.62 | -112.76 | 2 | 6 | 2 | 59 | 376.954 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.05 | 4.16 | -45.26 | 1 | 6 | 1 | 58 | 375.946 | 6 | ↓ |