UCSF

ZINC70091724

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2011 18 Yes

Popular Name: 1-[(2R)-2-[[(1S)-1-(3-methyl-2-thienyl)ethyl]amino]propyl]pyrrolidin-2-one 1-[(2R)-2-[[(1S)-1-(3-methyl-2-t…

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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) 2.42 7.42 -29.55 2 3 1 37 267.418 5 ↓
Mid Mid (pH 6-8) 2.42 6.21 -8.67 1 3 0 32 266.41 5 ↓

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

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