In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2010 | 27 | Yes |
Popular Name: 1-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-ethanone 1-[(2R)-2-(4-ethoxyphenyl)pyrrol…
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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) | 3.79 | 12.18 | -14.48 | 0 | 5 | 0 | 47 | 381.501 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.79 | 12.62 | -38.73 | 1 | 5 | 1 | 48 | 382.509 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.