UCSF

ZINC20931626

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 24 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) 4.28 9.14 -56.77 2 4 1 44 350.866 9
Hi High (pH 8-9.5) 4.28 7.73 -8.78 1 4 0 40 349.858 9

Activity (Go SEA)

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