UCSF

ZINC94313271

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2013 60 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) 0.61 11.53 -54.32 4 17 0 229 823.904 6
Hi High (pH 8-9.5) 0.61 11.05 -66.78 3 17 -1 228 822.896 6
Mid Mid (pH 6-8) 0.61 10.06 -30.7 4 17 0 225 823.904 6

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

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