UCSF

ZINC98090953

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2014 16 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) 0.98 4.65 -50.27 0 5 -1 76 221.188 2
Mid Mid (pH 6-8) 2.01 2.53 -145.6 0 5 -2 82 220.18 2

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

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