In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2009 | 33 | 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) | -0.36 | -9.44 | -38.86 | 8 | 12 | 0 | 211 | 464.379 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.36 | -8.43 | -87.02 | 7 | 12 | -1 | 213 | 463.371 | 4 | ↓ |