In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2011 | 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) | -0.94 | 2.44 | -55.08 | 2 | 6 | 1 | 72 | 237.283 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.94 | 1.15 | -14.78 | 1 | 6 | 0 | 67 | 236.275 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.