UCSF

ZINC41203002

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 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) 0.80 4.7 -47.06 3 1 1 28 186.225 2
Hi High (pH 8-9.5) 0.80 4.37 -1.96 2 1 0 26 185.217 2

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Rings

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