UCSF

ZINC69857579

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 13 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) -0.31 0.55 -8.6 1 4 0 55 183.207 0
Hi High (pH 8-9.5) -0.12 -1.98 -40.62 0 4 -1 62 182.199 0

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

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