In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 24th, 2010 | 39 | 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) | -5.05 | -9.95 | -56.38 | 12 | 17 | 1 | 274 | 558.617 | 15 | ↓ |
Hi High (pH 8-9.5) | -5.05 | -10.28 | -21.89 | 11 | 17 | 0 | 273 | 557.609 | 15 | ↓ |