In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 16 | 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) | 1.08 | 6.34 | -39.47 | 1 | 5 | 0 | 67 | 224.26 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.08 | 6.16 | -52.4 | 0 | 5 | -1 | 65 | 223.252 | 6 | ↓ |