UCSF

ZINC66442640

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 10 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) 0.86 2.1 -4.65 0 2 0 20 204.067 0
Lo Low (pH 4.5-6) 0.86 4.49 -39.49 1 2 1 22 205.075 0

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

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