UCSF

ZINC71514595

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 24 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) 3.50 6.44 -16.8 2 5 0 75 359.476 5
Mid Mid (pH 6-8) 3.96 4.97 -48.16 1 5 -1 78 358.468 5

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

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