In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2011 | 18 | 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) | 0.69 | 5.82 | -69.47 | 2 | 5 | 0 | 77 | 252.314 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.69 | 4.38 | -51.3 | 1 | 5 | -1 | 72 | 251.306 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.69 | 3.63 | -44.02 | 3 | 5 | 1 | 74 | 253.322 | 5 | ↓ |