In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 22nd, 2010 | 20 | 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) | 1.99 | 6.26 | -8.52 | 0 | 4 | 0 | 47 | 271.364 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.99 | 8.49 | -47.99 | 1 | 4 | 1 | 49 | 272.372 | 4 | ↓ |