UCSF

ZINC37819834

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 0.46 2.44 -45.54 3 4 1 61 262.127 3
Hi High (pH 8-9.5) 0.46 2.11 -11.88 2 4 0 59 261.119 3

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Rings

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