UCSF

ZINC67665426

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2011 39 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) 6.85 15.6 -21.45 2 6 0 79 513.645 7
Mid Mid (pH 6-8) 6.85 16.02 -34.57 3 6 1 80 514.653 7
Lo Low (pH 4.5-6) 6.85 16.28 -80.12 4 6 2 81 515.661 7

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

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