In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 18th, 2011 | 23 | Yes |
Popular Name: 2-[methyl(propyl)amino]-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone 2-[methyl(propyl)amino]-1-[(4R)-…
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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) | 3.62 | 11.26 | -42.39 | 1 | 3 | 1 | 25 | 329.489 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.62 | 8.99 | -10.15 | 0 | 3 | 0 | 24 | 328.481 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.