In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2009 | 19 | No |
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) | 2.60 | 3.53 | -49.01 | 4 | 3 | 1 | 57 | 274.365 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.60 | 2.38 | -7.44 | 3 | 3 | 0 | 52 | 273.357 | 1 | ↓ |