In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 8th, 2010 | 25 | 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) | -2.28 | 2.4 | -77.61 | 6 | 8 | 0 | 146 | 369.443 | 10 | ↓ |
Hi High (pH 8-9.5) | -2.28 | 2.08 | -60.57 | 5 | 8 | -1 | 145 | 368.435 | 10 | ↓ |