UCSF

ZINC26895003

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 9 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) -1.56 -2.64 -37.9 4 4 0 80 130.147 1
Hi High (pH 8-9.5) -1.56 -1.97 -44.7 3 4 -1 78 129.139 1
Mid Mid (pH 6-8) -1.56 -1.51 -61.72 4 4 0 83 130.147 1
Mid Mid (pH 6-8) -1.56 -1.21 -84.2 5 4 1 84 131.155 1

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

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