UCSF

ZINC22992456

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 27 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) 2.23 2.77 -16.99 2 7 0 88 397.541 9
Mid Mid (pH 6-8) 2.23 2.84 -46.97 1 7 -1 90 396.533 9
Mid Mid (pH 6-8) 2.23 4.66 -53.92 3 7 1 89 398.549 9

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

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