UCSF

ZINC22781308

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 22 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) 3.53 4.59 -12.43 3 4 0 79 312.756 1
Mid Mid (pH 6-8) 3.53 5.38 -40.56 2 4 -1 82 311.748 1
Lo Low (pH 4.5-6) 3.53 4.92 -55.75 4 4 1 81 313.764 1

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

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