UCSF

ZINC71606539

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 32 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) -1.02 1.87 -18.33 5 15 0 218 459.343 8
Hi High (pH 8-9.5) -1.02 2.6 -60.58 4 15 -1 221 458.335 8
Mid Mid (pH 6-8) -1.02 2.86 -57.34 4 15 -1 221 458.335 8

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

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