UCSF

ZINC69498912

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 20 Yes

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) 0.84 8.62 -31.62 3 3 1 45 270.4 4
Hi High (pH 8-9.5) 0.84 8.15 -5.68 2 3 0 44 269.392 4
Mid Mid (pH 6-8) 0.84 8.92 -112.75 4 3 2 47 271.408 4
Mid Mid (pH 6-8) 0.84 8.47 -38.39 3 3 1 45 270.4 4

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

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