In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 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) | 4.09 | 10.6 | -18.4 | 1 | 6 | 0 | 66 | 402.498 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.09 | 11.06 | -44.89 | 2 | 6 | 1 | 67 | 403.506 | 6 | ↓ |