UCSF

ZINC67725727

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 26 Yes

Popular Name: 2-[(3R)-3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)-1-piperidyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3- 2-[(3R)-3-(4-ethyl-5-oxo-1H-1,2,…

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Physical Representations

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) 1.19 10.02 -51.17 2 8 0 108 357.414 4 ↓
Hi High (pH 8-9.5) 1.19 9.61 -57.08 1 8 -1 107 356.406 4 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.