UCSF

ZINC69814893

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 24 Yes

Popular Name: [(3S)-3-(2-isopropylimidazol-1-yl)-1-piperidyl]-[3-methyl-5-(methylamino)isothiazol-4-yl]methanone [(3S)-3-(2-isopropylimidazol-1-y…

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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) 1.38 7.35 -34.7 2 6 1 64 348.496 4 ↓
Mid Mid (pH 6-8) 1.38 6.75 -12.92 1 6 0 63 347.488 4 ↓

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

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