In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2009 | 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) | 2.74 | 5.2 | -17.52 | 1 | 6 | 0 | 89 | 359.432 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.80 | 4.28 | -46.18 | 0 | 6 | -1 | 95 | 358.424 | 5 | ↓ |