UCSF

ZINC40192889

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 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) 5.64 15.99 -24.86 1 6 0 67 514.629 7
Lo Low (pH 4.5-6) 5.64 16.45 -40.73 2 6 1 68 515.637 7

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