UCSF

ZINC19990404

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 33 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) 4.74 9.32 -20.69 2 8 0 114 498.611 9
Mid Mid (pH 6-8) 5.20 8.08 -45.68 1 8 -1 117 497.603 9

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

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