In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2008 | 15 | 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) | 1.06 | 5.37 | -58.91 | 3 | 3 | 1 | 45 | 204.297 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.06 | 5.78 | -97.65 | 4 | 3 | 2 | 47 | 205.305 | 3 | ↓ |