In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 30 | 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) | 3.47 | 11.1 | -17.15 | 1 | 6 | 0 | 67 | 402.498 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.47 | 11.47 | -36.74 | 2 | 6 | 1 | 68 | 403.506 | 5 | ↓ |