In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 13th, 2009 | 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) | 3.01 | 8.89 | -19.68 | 1 | 7 | 0 | 75 | 404.47 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.01 | 9.36 | -45.81 | 2 | 7 | 1 | 76 | 405.478 | 7 | ↓ |