UCSF

ZINC69990241

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 20 Yes

Popular Name: N-[(1S)-1-(5-bromo-2-thienyl)-2-(1-isopropylpyrazol-3-yl)ethyl]propan-1-amine N-[(1S)-1-(5-bromo-2-thienyl)-2-…

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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) 4.62 9.21 -33.36 2 3 1 34 357.341 7 ↓
Hi High (pH 8-9.5) 4.62 7.98 -4.5 1 3 0 30 356.333 7 ↓

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

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