UCSF

ZINC52503934

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 16 Yes

Popular Name: (3S)-N1-cyclopropyl-N3-methyl-N3-(thiazol-4-ylmethyl)butane-1,3-diamine (3S)-N1-cyclopropyl-N3-methyl-N3…

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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) 1.66 6.31 -105.75 3 3 2 34 241.404 7 ↓
Mid Mid (pH 6-8) 1.66 4.45 -40.88 2 3 1 33 240.396 7 ↓

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

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