UCSF

ZINC62815754

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 18 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) -1.16 1.78 -95.3 4 6 2 68 251.334 1
Hi High (pH 8-9.5) -1.16 0.16 -9.05 2 6 0 62 249.318 1
Mid Mid (pH 6-8) -1.16 1.32 -43.84 3 6 1 67 250.326 1

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

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