UCSF

ZINC49569272

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 15 No

Popular Name: 4-[(1S)-3-(2-furyl)-1-methyl-propyl]-1,2,4-triazole-3-thiol 4-[(1S)-3-(2-furyl)-1-methyl-pro…

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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) 1.14 8.23 -14.43 1 4 0 47 223.301 4 ↓
Mid Mid (pH 6-8) 1.87 8.1 -46.09 0 4 -1 44 222.293 4 ↓

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

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