UCSF

ZINC14016393

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 33 No

Popular Name: benzoic acid, 3-nitro-, 2-[[[1,5-dioxo-5-(3-phenylpropoxy)pentyl]amino]thioxomethyl]hydrazide benzoic acid, 3-nitro-, 2-[[[1,5…

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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) 3.26 12.55 -43.31 3 10 0 142 472.523 14 ↓
Mid Mid (pH 6-8) 3.30 12.33 -76.98 2 10 -1 143 471.515 13 ↓

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

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