UCSF

ZINC62580426

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 28 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) 3.34 9.33 -14.4 1 7 0 85 408.52 11
Mid Mid (pH 6-8) 3.34 11.23 -44.82 2 7 1 86 409.528 11

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

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