UCSF

ZINC42457477

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 3.14 9.17 -39.75 1 2 1 22 220.336 6
Hi High (pH 8-9.5) 3.14 6.89 -6.56 0 2 0 20 219.328 6

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Rings

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