UCSF

ZINC36156428

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 13 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) 2.28 3.5 -41.2 3 2 1 37 184.234 2
Hi High (pH 8-9.5) 2.28 3.27 -3.58 2 2 0 35 183.226 2

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Rings

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