UCSF

ZINC07049475

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 22 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) 3.03 8.98 -16.35 0 6 0 61 290.33 3
Mid Mid (pH 6-8) 3.03 9.41 -32.81 1 6 1 62 291.338 3

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

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