UCSF

ZINC69236421

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 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) 3.30 7.83 -28.68 3 3 1 42 270.4 4
Hi High (pH 8-9.5) 3.30 7.1 -5.43 2 3 0 41 269.392 4
Mid Mid (pH 6-8) 3.30 8.32 -39.77 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.