UCSF

ZINC67935266

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 27 Yes

Popular Name: 5-[2-[5-(2-ethyl-4-methyl-1H-imidazol-5-yl)-4-phenyl-imidazol-1-yl]ethylsulfanyl]-1H-triazole 5-[2-[5-(2-ethyl-4-methyl-1H-imi…

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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) 2.28 9.59 -37.36 3 7 1 89 380.501 7 ↓
Hi High (pH 8-9.5) 2.28 9.17 -46.27 1 7 -1 86 378.485 7 ↓
Mid Mid (pH 6-8) 2.28 9.18 -13.12 2 7 0 88 379.493 7 ↓
Mid Mid (pH 6-8) 2.28 9.71 -43.45 3 7 1 89 380.501 7 ↓
Lo Low (pH 4.5-6) 2.28 10.12 -91.42 4 7 2 91 381.509 7 ↓

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

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