UCSF

ZINC48630566

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 16 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 5.75 -11.14 2 4 0 65 234.328 1
Mid Mid (pH 6-8) 1.97 5.52 -9.04 3 4 0 68 234.328 1

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

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