UCSF

ZINC65513463

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 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) -0.88 2.75 -38.53 1 8 1 82 343.411 4
Mid Mid (pH 6-8) -0.88 4.63 -49.23 1 8 1 82 343.411 4
Mid Mid (pH 6-8) -0.88 2.33 -10.83 0 8 0 80 342.403 4
Mid Mid (pH 6-8) -0.88 5.06 -111.33 2 8 2 83 344.419 4

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

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