In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 20 | 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) | 3.53 | 7.95 | -41.16 | 2 | 2 | 1 | 20 | 291.484 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.53 | 10.21 | -110.11 | 3 | 2 | 2 | 21 | 292.492 | 4 | ↓ |