UCSF

ZINC66129271

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 27 Yes

Popular Name: (1R)-1-[5-[4-[methyl-[(3-methyl-2-thienyl)methyl]amino]quinazolin-6-yl]-2-furyl]ethanol (1R)-1-[5-[4-[methyl-[(3-methyl-…

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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) 4.15 9.85 -8.89 1 5 0 62 379.485 5 ↓
Lo Low (pH 4.5-6) 4.15 10.32 -29.97 2 5 1 64 380.493 5 ↓
Lo Low (pH 4.5-6) 4.15 10.3 -36.49 2 5 1 64 380.493 5 ↓

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

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