In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2008 | 15 | 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) | 1.40 | 4.1 | -92.05 | 4 | 3 | 2 | 35 | 215.385 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.40 | 3.4 | -113.63 | 4 | 3 | 2 | 35 | 215.385 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.40 | 1.63 | -44.94 | 3 | 3 | 1 | 34 | 214.377 | 5 | ↓ |