In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 12th, 2008 | 28 | 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) | 1.76 | 7.12 | -16.06 | 1 | 7 | 0 | 105 | 373.368 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.76 | 7.37 | -52.87 | 2 | 7 | 1 | 106 | 374.376 | 1 | ↓ |