UCSF

ZINC42477629

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 21 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) 0.41 -0.58 -54.77 6 6 1 117 314.431 7
Hi High (pH 8-9.5) 0.41 -0.9 -15.84 5 6 0 115 313.423 7

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Rings

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