UCSF

ZINC52882279

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 21 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) 2.12 6.77 -39.27 3 4 1 51 290.431 4
Mid Mid (pH 6-8) 2.12 4.76 -7.22 2 4 0 50 289.423 4
Lo Low (pH 4.5-6) 2.12 6.95 -103.51 4 4 2 52 291.439 4

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

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