UCSF

ZINC00949533

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 28 No

Popular Name: N-(5-bromo-2-oxo-indolin-3-ylidene)amino-2-(4-oxoquinazolin-3-yl)-propanamide N-(5-bromo-2-oxo-indolin-3-ylide…

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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) 2.51 6.17 -20.44 2 8 0 109 440.257 3 ↓
Hi High (pH 8-9.5) 2.97 4.29 -53.12 1 8 -1 112 439.249 3 ↓
Hi High (pH 8-9.5) 2.97 4.56 -43.24 1 8 -1 112 439.249 3 ↓

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

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