UCSF

ZINC59514620

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2011 19 Yes

Popular Name: (1S)-1-cyclopropyl-1-(4-methoxyphenyl)-N-(3-thienylmethyl)methanamine (1S)-1-cyclopropyl-1-(4-methoxyp…

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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) 3.59 8.38 -42.39 2 2 1 26 274.409 6 ↓
Hi High (pH 8-9.5) 3.59 7.82 -3.65 1 2 0 21 273.401 6 ↓

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

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