UCSF

ZINC52555807

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 25 Yes

Popular Name: 1-(4-chlorophenyl)-N-(4H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxami 1-(4-chlorophenyl)-N-(4H-1,2,4-t…

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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) 2.92 10.52 -15.53 2 7 0 88 356.817 3 ↓
Mid Mid (pH 6-8) 2.92 10.31 -50.67 1 7 -1 87 355.809 3 ↓
Mid Mid (pH 6-8) 2.99 8.79 -50.09 1 7 -1 95 355.809 3 ↓

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

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