UCSF

ZINC69764969

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 15 Yes

Popular Name: N-methyl-1-[(2S)-1-[2-(3-thienyl)ethyl]pyrrolidin-2-yl]methanamine N-methyl-1-[(2S)-1-[2-(3-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) 1.91 7.39 -116.41 3 2 2 21 226.389 5 ↓
Mid Mid (pH 6-8) 1.91 6.05 -31.14 2 2 1 16 225.381 5 ↓
Mid Mid (pH 6-8) 1.91 5.58 -37.21 2 2 1 20 225.381 5 ↓

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

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