UCSF

ZINC41678472

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 17 Yes

Popular Name: N-[(S)-(4-bromo-2-thienyl)-(4-methylthiazol-2-yl)methyl]cyclopropanamine N-[(S)-(4-bromo-2-thienyl)-(4-me…

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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) 3.16 4.96 -5.33 1 2 0 25 329.288 4 ↓
Mid Mid (pH 6-8) 3.16 7.01 -35.05 2 2 1 29 330.296 4 ↓

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

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