UCSF

ZINC09708637

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 30 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) 3.67 -3.7 -14.59 1 6 0 75 420.49 5
Hi High (pH 8-9.5) 3.67 -3.13 -42.84 0 6 -1 77 419.482 5

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

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