UCSF

ZINC65531085

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 26 Yes

Popular Name: 2-chloro-4-nitro-N-{3-nitrophenyl}benzamide 2-chloro-4-nitro-N-{3-nitropheny…

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Other Names:

MFCD01188657

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) 0.97 7.84 -79.82 3 6 2 56 359.518 5 ↓
Hi High (pH 8-9.5) 0.97 4.55 -17.75 1 6 0 53 357.502 5 ↓
Hi High (pH 8-9.5) 0.97 5.99 -57.2 2 6 1 58 358.51 5 ↓
Mid Mid (pH 6-8) 0.97 7 -43.52 2 6 1 55 358.51 5 ↓
Lo Low (pH 4.5-6) 0.97 9.29 -179 4 6 3 60 360.526 5 ↓
Lo Low (pH 4.5-6) 0.97 6.84 -93.12 3 6 2 59 359.518 5 ↓

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

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