In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 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) | 3.68 | 9.56 | -29.8 | 1 | 3 | 1 | 21 | 322.407 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.68 | 11.35 | -51.19 | 1 | 3 | 1 | 21 | 322.407 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.68 | 11.78 | -92.42 | 2 | 3 | 2 | 22 | 323.415 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.68 | 9.13 | -7.39 | 0 | 3 | 0 | 19 | 321.399 | 3 | ↓ |