UCSF

ZINC13980241

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 27 No

Popular Name: butanoic acid, 4-oxo-4-[(phenylmethyl)amino]-, (5-bromo-1,2-dihydro-2-oxo-3H-indol-3-ylidene)hydrazide butanoic acid, 4-oxo-4-[(phenylm…

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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) 2.45 5.01 -16.58 3 7 0 103 429.274 6 ↓
Ref Reference (pH 7) 2.28 5.15 -34.73 4 7 1 101 430.282 7 ↓
Hi High (pH 8-9.5) 2.91 3.11 -50.54 2 7 -1 107 428.266 6 ↓

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