UCSF

ZINC39116477

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 13 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) -1.09 3.52 -49.29 1 4 -1 69 176.151 1
Mid Mid (pH 6-8) 0.44 3.43 -138.5 0 4 -2 76 175.143 1
Mid Mid (pH 6-8) 0.44 3.43 -138.54 0 4 -2 76 175.143 1

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

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