UCSF

ZINC59138408

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2011 18 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) 1.08 0.3 -54.58 1 6 -1 85 246.246 2
Mid Mid (pH 6-8) 0.62 2.88 -12.85 2 6 0 82 247.254 2
Lo Low (pH 4.5-6) 0.62 3.79 -37.17 3 6 1 83 248.262 2

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

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