UCSF

ZINC05424260

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 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) 2.24 5.49 -7.65 0 3 0 39 181.235 3
Mid Mid (pH 6-8) 2.02 -1.35 -4.57 0 3 0 38 181.235 3

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

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