UCSF

ZINC52544277

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 20 Yes

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) 2.54 8.93 -84.48 3 3 2 24 279.472 10
Hi High (pH 8-9.5) 2.54 6.45 -36.53 2 3 1 23 278.464 10
Lo Low (pH 4.5-6) 2.54 10.56 -195.49 4 3 3 25 280.48 10

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Rings

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