UCSF

ZINC64543340

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 22 Yes

Popular Name: 3-furyl-[(3S)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone 3-furyl-[(3S)-3-(3-methylimidazo…

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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) 0.34 6.67 -19.66 0 6 0 64 296.33 2 ↓
Lo Low (pH 4.5-6) 0.34 7.18 -42.3 1 6 1 65 297.338 2 ↓

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

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