In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2010 | 20 | No |
Popular Name: (2R)-2-chloro-1-[2,5-dimethyl-1-[2-(1-piperidyl)ethyl]pyrrol-3-yl]propan-1-one (2R)-2-chloro-1-[2,5-dimethyl-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) | 2.72 | 10.79 | -44.05 | 1 | 3 | 1 | 26 | 297.85 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.72 | 8.57 | -5.05 | 0 | 3 | 0 | 25 | 296.842 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.