In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2008 | 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) | 3.46 | 7.88 | -132.02 | 4 | 2 | 2 | 32 | 313.283 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.46 | 6.62 | -52.84 | 3 | 2 | 1 | 31 | 312.275 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.46 | 7.6 | -32.17 | 3 | 2 | 1 | 30 | 312.275 | 3 | ↓ |