UCSF

ZINC41676074

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 1.25 3.71 -95 5 5 2 78 301.456 8
Hi High (pH 8-9.5) 1.25 3.42 -39.36 4 5 1 77 300.448 8
Hi High (pH 8-9.5) 1.25 1.38 -8.6 3 5 0 75 299.44 8

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Rings

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