UCSF

ZINC40445973

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 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) 2.36 2.07 -11.09 2 5 0 75 414.119 5
Hi High (pH 8-9.5) 2.36 1.84 -42.31 1 5 -1 77 413.111 5

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Rings

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