In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 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) | 2.04 | 6.37 | -117.21 | 4 | 3 | 2 | 41 | 282.403 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.04 | 4.88 | -46.14 | 3 | 3 | 1 | 40 | 281.395 | 6 | ↓ |