UCSF

ZINC66213819

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2011 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) 2.40 3.94 -44.19 3 5 1 64 267.349 8
Hi High (pH 8-9.5) 2.40 2.59 -10.57 2 5 0 60 266.341 8

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Rings

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