UCSF

ZINC69764946

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 14 Yes

Popular Name: [(2R)-1-[2-(3-thienyl)ethyl]pyrrolidin-2-yl]methanamine [(2R)-1-[2-(3-thienyl)ethyl]pyrr…

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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) 0.93 4.87 -114.46 4 2 2 32 212.362 4 ↓
Mid Mid (pH 6-8) 0.93 4.52 -34.68 3 2 1 30 211.354 4 ↓
Mid Mid (pH 6-8) 0.93 2.53 -43.62 3 2 1 31 211.354 4 ↓

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

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