UCSF

ZINC70089765

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2011 20 No

Popular Name: [2-amino-4-(3-methyl-2-thienyl)-3-thienyl]-(1-piperidyl)methanone [2-amino-4-(3-methyl-2-thienyl)-…

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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) 2.71 7.45 -12.09 1 3 0 44 306.456 2 ↓
Mid Mid (pH 6-8) 2.89 6.75 -11.39 2 3 0 46 306.456 2 ↓

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

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