UCSF

ZINC88463127

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2013 20 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) -3.98 -6.14 -357.1 3 12 -4 215 336.082 5
Mid Mid (pH 6-8) -3.98 -7.3 -218.97 4 12 -3 212 337.09 5
Lo Low (pH 4.5-6) -3.98 -8.44 -111.34 5 12 -2 209 338.098 5

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

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