In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2009 | 20 | No |
Popular Name: (2R)-2-chloro-1-[1-(3-imidazol-1-ylpropyl)-2,5-dimethyl-pyrrol-3-yl]propan-1-one (2R)-2-chloro-1-[1-(3-imidazol-1…
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) | 1.74 | 10.95 | -13.35 | 0 | 4 | 0 | 40 | 293.798 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.74 | 11.47 | -41.4 | 1 | 4 | 1 | 41 | 294.806 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.