UCSF

ZINC64548549

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 21 No

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) -1.22 1.34 -52.5 3 11 -1 161 309.206 4
Mid Mid (pH 6-8) -1.22 2.45 -129.16 2 11 -2 164 308.198 4

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

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