UCSF

ZINC69568471

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2011 21 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) -1.28 -0.07 -19.05 3 8 0 120 314.367 9
Mid Mid (pH 6-8) -1.28 0.27 -53.42 4 8 1 122 315.375 9

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

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