UCSF

ZINC86860021

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 22 No

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) -2.58 -1.74 -130.58 5 11 -1 171 332.233 4
Mid Mid (pH 6-8) -2.58 -1.41 -208.59 6 11 0 173 333.241 4
Mid Mid (pH 6-8) -2.58 -1.73 -156.74 5 11 -1 172 332.233 4
Mid Mid (pH 6-8) -2.58 -2.2 -148.36 4 11 -2 170 331.225 4
Mid Mid (pH 6-8) -2.58 -1.9 -160.56 5 11 -1 172 332.233 4
Lo Low (pH 4.5-6) -2.58 -2.57 -138.16 7 11 1 171 334.249 4

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

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