UCSF

ZINC69995396

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 20 Yes

Popular Name: [4-ethyl-5-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methylsulfanyl]-1,2,4-triazol-3-yl]methanamine [4-ethyl-5-[[1-[(1S)-1-methylpro…

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Download: MOL2 SDF SMILES Flexibase

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) 1.57 6.29 -56.02 3 6 1 76 295.436 7 ↓
Hi High (pH 8-9.5) 1.57 5.89 -12.16 2 6 0 75 294.428 7 ↓

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

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