In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 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) | 3.80 | 4.46 | -7.3 | 3 | 4 | 0 | 72 | 331.224 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.80 | 4.75 | -39.45 | 2 | 4 | -1 | 74 | 330.216 | 3 | ↓ |