In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 13th, 2009 | 29 | 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) | 1.05 | 8.78 | -55.87 | 1 | 9 | 0 | 124 | 396.403 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.05 | 6.27 | -36.5 | 0 | 9 | -1 | 122 | 395.395 | 7 | ↓ |