In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2008 | 19 | 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) | 4.24 | 9.78 | -80.32 | 5 | 3 | 2 | 58 | 267.461 | 13 | ↓ |
Mid Mid (pH 6-8) | 4.24 | 9.23 | -47.23 | 4 | 3 | 1 | 56 | 266.453 | 13 | ↓ |