UCSF

ZINC36965055

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 13 No

Popular Name: 5-(cyclohexylmethyl)-4H-1,2,4-triazole-3-thiol 5-(cyclohexylmethyl)-4H-1,2,4-tr…

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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) 2.68 6.52 -42.24 1 3 -1 42 196.299 2 ↓
Mid Mid (pH 6-8) 2.68 6.21 -26.25 2 3 0 43 197.307 2 ↓
Lo Low (pH 4.5-6) 1.95 6.51 -11.04 2 3 0 44 197.307 2 ↓

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

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