In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2006 | 31 | 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) | 3.98 | 12.43 | -44.08 | 2 | 5 | 1 | 62 | 419.545 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.40 | 12.95 | -42.12 | 1 | 5 | 1 | 59 | 419.545 | 9 | ↓ |