UCSF

ZINC71556391

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 25 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) 4.30 7.74 -44.64 2 6 1 76 384.547 9
Hi High (pH 8-9.5) 3.37 5.43 -51.09 0 6 -1 74 382.531 10
Mid Mid (pH 6-8) 3.37 7.9 -50.41 1 6 0 75 383.539 10

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

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