UCSF

ZINC65495708

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 24 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) 1.10 5.95 -30.23 3 7 0 104 328.372 6
Hi High (pH 8-9.5) 1.56 3.9 -63.55 2 7 -1 107 327.364 6

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

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