UCSF

ZINC37323124

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 16 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) 2.80 8.51 -43.49 1 2 1 22 224.299 6
Hi High (pH 8-9.5) 2.80 6.2 -5.87 0 2 0 20 223.291 6

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Rings

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