UCSF

ZINC67072093

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2011 19 No

Popular Name: N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-1-methyl-pyrrole-2-carboxamide N-[(4-isopropyl-5-sulfanyl-1,2,4…

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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) 0.10 6.13 -12.91 2 6 0 68 279.369 4 ↓
Mid Mid (pH 6-8) 0.83 5.92 -43.67 1 6 -1 65 278.361 4 ↓

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

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