UCSF

ZINC97966832

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2014 42 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) 5.99 13.47 -60.33 0 7 -1 82 567.706 10
Mid Mid (pH 6-8) 5.99 15.75 -69.35 1 7 0 83 568.714 10
Lo Low (pH 4.5-6) 5.99 12.58 -12.96 1 7 0 79 568.714 10

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

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