UCSF

ZINC20213391

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 17 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) -0.31 0.29 -78.39 3 7 0 107 261.303 6
Hi High (pH 8-9.5) -0.31 -0.12 -90.13 2 7 -1 109 260.295 6
Hi High (pH 8-9.5) -0.31 -2.24 -52.1 2 7 -1 105 260.295 6

Activity (Go SEA)

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