UCSF

ZINC14011501

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: butanoic acid, 4-[[[2-[(4-nitrophenoxy)acetyl]hydrazino]thioxomethyl]amino]-4-oxo-, 2-phenylethyl ester butanoic acid, 4-[[[2-[(4-nitrop…

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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) 2.23 11.61 -33.97 3 11 0 152 474.495 14 ↓
Mid Mid (pH 6-8) 2.27 11.45 -62.7 2 11 -1 152 473.487 13 ↓

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

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