UCSF

ZINC69798453

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 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) 0.53 4.35 -39.35 3 6 1 89 226.256 2
Lo Low (pH 4.5-6) 0.53 3.86 -128.58 4 6 2 91 227.264 2

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

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