In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 6th, 2008 | 35 | 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) | 1.18 | 8.22 | -52.98 | 2 | 9 | 1 | 95 | 491.597 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.18 | 8.51 | -125.84 | 3 | 9 | 2 | 97 | 492.605 | 7 | ↓ |