In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2006 | 27 | 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) | 3.33 | 7.27 | -47.04 | 0 | 7 | -1 | 87 | 382.469 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.87 | 9.2 | -14.32 | 1 | 7 | 0 | 84 | 383.477 | 4 | ↓ |