UCSF

ZINC42458919

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 No

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) 1.16 0.74 -12.26 4 6 0 99 251.286 4
Hi High (pH 8-9.5) 1.16 1.67 -52.62 3 6 -1 102 250.278 4

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Rings

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