In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 19th, 2010 | 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) | -3.30 | 1.4 | -33.13 | 4 | 7 | 0 | 123 | 239.231 | 3 | ↓ |
Hi High (pH 8-9.5) | -3.30 | 1.09 | -44.41 | 3 | 7 | -1 | 121 | 238.223 | 3 | ↓ |