In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 30 | No |
None
None
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) | 4.18 | 10.52 | -10.39 | 0 | 5 | 0 | 48 | 400.478 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.18 | 13.5 | -48.35 | 1 | 5 | 1 | 49 | 401.486 | 3 | ↓ |