UCSF

ZINC42445754

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 20 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) 1.73 1.57 -10.52 4 6 0 99 279.34 5
Hi High (pH 8-9.5) 1.73 2.35 -51.67 3 6 -1 102 278.332 5

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Rings

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