UCSF

ZINC95751837

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2014 13 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) -1.28 -1.19 -7.23 2 4 0 60 177.207 2
Lo Low (pH 4.5-6) -1.28 -0.79 -41.61 3 4 1 62 178.215 2

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

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