UCSF

ZINC48948144

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 20 No

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) 0.64 3.79 -8.14 3 6 0 88 277.372 4
Mid Mid (pH 6-8) 0.64 3.78 -40.86 4 6 1 90 278.38 4
Mid Mid (pH 6-8) 0.64 3.9 -30.15 4 6 1 89 278.38 4
Lo Low (pH 4.5-6) 0.64 3.9 -92.07 5 6 2 91 279.388 4

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

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