UCSF

ZINC39838633

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 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) 4.92 12.99 -12.78 0 5 0 63 461.315 2
Mid Mid (pH 6-8) 4.92 13.41 -30.04 1 5 1 65 462.323 2

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