UCSF

ZINC22153425

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 18 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) 2.06 5.22 -37.29 4 4 1 60 250.366 5
Hi High (pH 8-9.5) 2.06 3.01 -12.27 3 4 0 58 249.358 5

Activity (Go SEA)

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