UCSF

ZINC37826533

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 2.08 3.18 -41.41 4 4 1 68 265.377 5
Mid Mid (pH 6-8) 2.08 2.91 -7.27 3 4 0 67 264.369 5

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Rings

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