UCSF

ZINC69266258

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 18 Yes

Popular Name: (1R)-1-(4-isoquinolyl)-1-(2-thienyl)ethanol (1R)-1-(4-isoquinolyl)-1-(2-thie…

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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) 2.67 5.64 -6.45 1 2 0 33 255.342 2 ↓
Lo Low (pH 4.5-6) 2.67 6.1 -34.99 2 2 1 34 256.35 2 ↓

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

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