In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 21st, 2010 | 19 | 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) | 2.81 | 7.23 | -34.53 | 1 | 3 | 1 | 17 | 263.405 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.81 | 7.51 | -37.06 | 1 | 3 | 1 | 17 | 263.405 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.81 | 5.26 | -3.25 | 0 | 3 | 0 | 16 | 262.397 | 5 | ↓ |