UCSF

ZINC62800301

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 20 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) 1.67 2.2 -7.98 1 5 0 54 276.336 4
Mid Mid (pH 6-8) 1.67 4.5 -44.36 2 5 1 55 277.344 4

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

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