In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 31 | Yes |
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) | 6.07 | 12.52 | -8.76 | 1 | 5 | 0 | 56 | 439.987 | 7 | ↓ |
Mid Mid (pH 6-8) | 6.07 | 12.99 | -35.33 | 2 | 5 | 1 | 57 | 440.995 | 7 | ↓ |