UCSF

ZINC22114341

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 10 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) -0.24 3.6 -95.96 0 4 -2 80 180.206 3
Hi High (pH 8-9.5) -0.24 4.16 -204.8 0 4 -3 80 179.198 3
Lo Low (pH 4.5-6) -0.24 1.61 -38.34 1 4 -1 77 181.214 3

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

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