UCSF

ZINC66140766

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 14 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) 3.44 5.63 -2.92 2 2 0 35 193.29 4

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Rings

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