In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 21st, 2011 | 19 | 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) | 1.25 | 7.67 | -39.62 | 1 | 4 | 1 | 34 | 269.409 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.25 | 5.52 | -9.01 | 0 | 4 | 0 | 33 | 268.401 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.