UCSF

ZINC39890199

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 39 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.91 15.09 -22.14 0 7 0 84 517.516 3
Lo Low (pH 4.5-6) 3.91 15.62 -38.95 1 7 1 85 518.524 3

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