UCSF

ZINC98230187

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2014 39 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) -1.31 -0.22 -68.42 8 14 1 207 561.701 23
Hi High (pH 8-9.5) -1.31 0.75 -87.17 7 14 0 210 560.693 23

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

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