UCSF

ZINC02024062

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 21 Yes

Popular Name: 4-(3-butoxycarbonylanilino)-4-keto-butyrate 4-(3-butoxycarbonylanilino)-4-ke…

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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) 2.49 8.04 -54.2 1 6 -1 96 292.311 9 ↓
Lo Low (pH 4.5-6) 2.49 6.07 -15.44 2 6 0 93 293.319 9 ↓

Activity (Go SEA)

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