UCSF

ZINC44018805

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 12 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.58 -1.39 -39.05 1 4 -1 69 246.065 0
Mid Mid (pH 6-8) 1.13 0.49 -8.3 2 4 0 66 247.073 0

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

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