UCSF

ZINC05286128

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 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) -1.28 -5.68 -46.73 4 6 -1 122 180.143 2
Mid Mid (pH 6-8) -1.48 -4.31 -13.86 5 6 0 119 181.151 2

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

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