In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 15th, 2008 | 25 | 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) | 6.70 | 12.93 | -9.17 | 1 | 2 | 0 | 29 | 365.263 | 3 | ↓ |
Mid Mid (pH 6-8) | 6.70 | 13.32 | -31.8 | 2 | 2 | 1 | 30 | 366.271 | 3 | ↓ |
Lo Low (pH 4.5-6) | 6.70 | 13.38 | -29.01 | 2 | 2 | 1 | 30 | 366.271 | 3 | ↓ |