In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 4th, 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) | 4.14 | 10.17 | -10.82 | 1 | 4 | 0 | 47 | 321.424 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.14 | 10.68 | -31.7 | 2 | 4 | 1 | 48 | 322.432 | 7 | ↓ |