UCSF

ZINC69209748

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2011 28 No

Popular Name: 2-chloro-N-isopropyl-5-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide 2-chloro-N-isopropyl-5-nitro-N-[…

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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) 2.69 9.72 -14.66 1 8 0 112 400.822 5 ↓
Hi High (pH 8-9.5) 3.15 6.72 -48.06 0 8 -1 115 399.814 5 ↓

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

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