UCSF

ZINC41678480

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 Yes

Popular Name: N-[(S)-(4-bromo-2-thienyl)-(4-ethyl-5-methyl-thiazol-2-yl)methyl]cyclopropanamine N-[(S)-(4-bromo-2-thienyl)-(4-et…

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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) 3.95 6.43 -5.63 1 2 0 25 357.342 5 ↓
Mid Mid (pH 6-8) 3.95 8.49 -34.4 2 2 1 29 358.35 5 ↓

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

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