UCSF

ZINC36338534

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 25 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) -1.81 -2.69 -155.5 3 12 -2 186 394.664 5
Hi High (pH 8-9.5) -1.35 -5.08 -209.14 2 12 -3 189 393.656 5
Mid Mid (pH 6-8) -1.81 -3.84 -62.78 4 12 -1 183 395.672 5

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

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