UCSF

ZINC65504331

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 25 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) 2.58 11.09 -45.15 1 4 1 38 346.401 3
Mid Mid (pH 6-8) 2.58 9.15 -9.5 0 4 0 36 345.393 3

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

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