UCSF

ZINC54433578

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 14 No

Popular Name: (3aR)-2-(2-dimethylaminoethyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one (3aR)-2-(2-dimethylaminoethyl)-3…

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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) 0.74 5.04 -35.66 1 4 1 37 196.274 3 ↓
Hi High (pH 8-9.5) 0.74 2.6 -9.24 0 4 0 36 195.266 3 ↓
Hi High (pH 8-9.5) 0.74 2.59 -9.35 0 4 0 36 195.266 3 ↓

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

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