In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2006 | 30 | 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) | 4.17 | 2.85 | -41.77 | 2 | 5 | 1 | 62 | 411.497 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.14 | 2.55 | -44.53 | 1 | 5 | 1 | 58 | 411.497 | 8 | ↓ |