UCSF

ZINC67051175

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2011 21 No

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

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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) 0.69 8.18 -21.13 2 5 0 63 302.403 4 ↓
Mid Mid (pH 6-8) 1.42 8.07 -52.06 1 5 -1 60 301.395 4 ↓

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

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