UCSF

ZINC25749594

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 31 Yes

Popular Name: 2-[[4-(4-methoxyphenyl)-5-[(1S)-1-(1-piperidyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-methylb 2-[[4-(4-methoxyphenyl)-5-[(1S)-…

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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) 3.96 12.14 -40.51 2 7 1 73 446.641 10 ↓
Hi High (pH 8-9.5) 3.96 9.9 -13.15 1 7 0 72 445.633 10 ↓

Activity (Go SEA)

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