UCSF

ZINC22705747

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 32 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) 5.42 11.74 -15.11 0 7 0 77 469.588 6
Lo Low (pH 4.5-6) 5.42 14.07 -43.78 1 7 1 78 470.596 6

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

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