UCSF

ZINC71543077

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 28 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) 5.71 12.39 -36.05 2 5 1 51 385.576 4
Mid Mid (pH 6-8) 5.71 10.04 -9.96 1 5 0 50 384.568 4
Lo Low (pH 4.5-6) 5.71 12.88 -89.98 3 5 2 52 386.584 4

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

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