UCSF

ZINC98369400

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2015 22 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) 2.96 6.73 -53.64 1 6 -1 88 308.354 10
Lo Low (pH 4.5-6) 2.96 4.75 -14.65 2 6 0 85 309.362 10

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

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