UCSF

ZINC19508992

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 15 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) 0.52 2.45 -41.31 2 4 1 46 213.301 1
Hi High (pH 8-9.5) 0.52 1.19 -6.52 1 4 0 42 212.293 1

Activity (Go SEA)

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