In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 15 | 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) | 1.05 | 3.36 | -87.44 | 5 | 4 | 2 | 69 | 228.365 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.05 | 1.02 | -35.63 | 4 | 4 | 1 | 68 | 227.357 | 7 | ↓ |