In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 38 | 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) | 5.29 | 9.95 | -17.35 | 1 | 6 | 0 | 67 | 552.569 | 4 | ↓ |
Mid Mid (pH 6-8) | 5.29 | 9.84 | -44.25 | 0 | 6 | -1 | 69 | 551.561 | 4 | ↓ |