UCSF

ZINC42458315

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) 2.40 5 -45.15 4 4 1 63 319.198 5
Hi High (pH 8-9.5) 2.40 2.98 -5.03 3 4 0 62 318.19 5

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Rings

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