In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 17 | 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) | 3.12 | 6.87 | -4.01 | 1 | 2 | 0 | 25 | 224.307 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.12 | 7.34 | -34.19 | 2 | 2 | 1 | 26 | 225.315 | 5 | ↓ |