UCSF

ZINC69230640

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 29 No

Popular Name: 4-chloro-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-nitro-N-propyl-benzamide 4-chloro-N-[(7-chloro-4-oxo-3H-q…

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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) 3.55 11.54 -17.34 1 8 0 112 435.267 6 ↓
Hi High (pH 8-9.5) 4.01 8.83 -47.01 0 8 -1 115 434.259 6 ↓

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

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