UCSF

ZINC04166892

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 32 No

Popular Name: amino-bromo-(4-ethoxyphenyl)-methyl-oxo-BLAHcarbonitrile amino-bromo-(4-ethoxyphenyl)-met…

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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) 3.55 3.15 -15.17 4 8 0 126 492.333 3 ↓
Hi High (pH 8-9.5) 3.62 1.12 -42.71 2 8 -1 128 491.325 3 ↓
Lo Low (pH 4.5-6) 3.55 3.36 -56.24 5 8 1 128 493.341 3 ↓

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