UCSF

ZINC40086784

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 27 Yes

Popular Name: 2-[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-isobutylpiperazin-1-yl)ethanone 2-[[4-(3-chloro-4-methyl-phenyl)…

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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) 3.28 11.58 -11.81 0 6 0 54 407.971 6 ↓
Mid Mid (pH 6-8) 3.28 13.5 -47.14 1 6 1 55 408.979 6 ↓

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