UCSF

ZINC16590613

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 23 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) 4.46 10.44 -42.8 2 3 1 34 352.285 7
Mid Mid (pH 6-8) 4.46 7.82 -11.55 1 3 0 32 351.277 7

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

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