UCSF

ZINC35133873

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 20 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) 1.29 3.01 -59.5 4 6 1 91 295.75 5
Hi High (pH 8-9.5) 1.74 -0.91 -48.65 2 6 -1 90 293.734 5
Mid Mid (pH 6-8) 1.74 0.43 -50.2 3 6 0 95 294.742 5
Mid Mid (pH 6-8) 1.29 1.66 -15.89 3 6 0 87 294.742 5

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

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