UCSF

ZINC49574851

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.26 8.78 -196.02 4 3 3 25 256.458 4
Hi High (pH 8-9.5) 2.26 7.77 -79.75 3 3 2 21 255.45 4
Hi High (pH 8-9.5) 2.26 5.56 -32.02 2 3 1 20 254.442 4
Mid Mid (pH 6-8) 2.26 6.47 -116.02 3 3 2 24 255.45 4
Mid Mid (pH 6-8) 2.26 4.25 -37.17 2 3 1 23 254.442 4

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

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