In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2004 | 30 | 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) | 2.87 | 11.32 | -47.1 | 1 | 6 | 1 | 55 | 412.464 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.87 | 9.19 | -15.71 | 0 | 6 | 0 | 54 | 411.456 | 3 | ↓ |