UCSF

ZINC22752221

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 24 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) 2.72 5.27 -47.83 2 7 1 76 330.412 4
Hi High (pH 8-9.5) 2.72 3.05 -9.26 1 7 0 74 329.404 4
Mid Mid (pH 6-8) 2.72 5.27 -41.43 2 7 1 76 330.412 4

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

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