In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 4th, 2006 | 33 | 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) | 4.08 | 10.67 | -16.21 | 1 | 8 | 0 | 83 | 447.491 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.08 | 11.12 | -35.59 | 2 | 8 | 1 | 85 | 448.499 | 7 | ↓ |