UCSF

ZINC42450367

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 1.21 5.39 -54.22 4 5 1 83 261.349 6
Mid Mid (pH 6-8) 1.21 3.36 -12.71 3 5 0 82 260.341 6

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Rings

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