UCSF

ZINC71499158

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 27 Yes

Download: MOL2 SDF SMILES Flexibase

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) -0.25 1.76 -21.8 2 8 0 105 370.409 7
Lo Low (pH 4.5-6) -0.25 2.14 -47.94 3 8 1 106 371.417 7

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

No pre-computed analogs available. Try a structural similarity search.