UCSF

ZINC70089762

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2011 19 No

Popular Name: [2-amino-4-(3-methyl-2-thienyl)-3-thienyl]-pyrrolidin-1-yl-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) 2.20 6.66 -12.76 1 3 0 44 292.429 2 ↓
Mid Mid (pH 6-8) 2.39 6.01 -12.28 2 3 0 46 292.429 2 ↓

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

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