In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2008 | 29 | 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) | 2.38 | 8.28 | -18.61 | 3 | 8 | 0 | 105 | 389.415 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.56 | 8.01 | -47.45 | 4 | 8 | 1 | 110 | 390.423 | 3 | ↓ |