UCSF

ZINC69209678

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2011 31 Yes

Popular Name: N-isopropyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide N-isopropyl-N-[(4-oxo-3H-quinazo…

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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) 4.52 11.85 -14.83 1 5 0 66 429.545 4 ↓
Hi High (pH 8-9.5) 4.97 10.46 -47.84 0 5 -1 69 428.537 4 ↓

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

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