In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 24 | 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) | 2.14 | 6.38 | -10.36 | 1 | 5 | 0 | 50 | 325.391 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.14 | 8.61 | -48.11 | 2 | 5 | 1 | 51 | 326.399 | 3 | ↓ |