UCSF

ZINC22745295

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 34 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) 4.99 15.92 -15.24 1 9 0 115 487.488 8
Hi High (pH 8-9.5) 5.17 15.7 -34.17 0 9 -1 116 486.48 8
Mid Mid (pH 6-8) 5.17 16.26 -41.83 2 9 1 120 488.496 8
Mid Mid (pH 6-8) 3.46 4.56 -14 2 5 0 68 301.342 6

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

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