In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 18th, 2008 | 28 | 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) | 3.50 | 12.03 | -14.59 | 0 | 5 | 0 | 41 | 374.488 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.50 | 13.79 | -103.59 | 2 | 5 | 2 | 43 | 376.504 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.50 | 12.43 | -34.79 | 1 | 5 | 1 | 42 | 375.496 | 4 | ↓ |