UCSF

ZINC39900036

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 30 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) 5.78 11.98 -12.57 0 5 0 46 402.494 8
Lo Low (pH 4.5-6) 5.78 12.39 -29.73 1 5 1 47 403.502 8

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