UCSF

ZINC01687639

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 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) -0.09 3.87 -15.38 1 5 0 59 161.168 0
Mid Mid (pH 6-8) -0.09 4.88 -41.58 2 5 1 60 162.176 0

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

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