UCSF

ZINC86861413

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 15 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) -4.65 -7.43 -86.47 6 10 -1 180 238.205 2
Mid Mid (pH 6-8) -4.65 -7.41 -125.09 5 10 -2 178 237.197 2
Mid Mid (pH 6-8) -4.65 -7.32 -119.89 5 10 -2 178 237.197 2
Lo Low (pH 4.5-6) -4.65 -7.81 -44.08 6 10 -1 176 238.205 2
Lo Low (pH 4.5-6) -4.65 -7.91 -46.55 6 10 -1 176 238.205 2

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

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