UCSF

ZINC40176895

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 3.46 4.76 -13.68 2 6 0 87 360.435 4
Hi High (pH 8-9.5) 3.46 5.77 -54.39 1 6 -1 90 359.427 4

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