UCSF

ZINC66166485

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 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) 3.92 14.07 -47.8 2 8 1 99 531.629 9
Mid Mid (pH 6-8) 3.92 12.94 -13.89 1 8 0 94 530.621 9

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

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