In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 17 | 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) | 0.92 | 2.94 | -48.7 | 4 | 4 | 1 | 70 | 230.291 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.92 | 2.63 | -8.49 | 3 | 4 | 0 | 68 | 229.283 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.92 | 3.4 | -91.16 | 5 | 4 | 2 | 71 | 231.299 | 3 | ↓ |