UCSF

ZINC23070353

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 13 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) 1.25 5.14 -114.94 4 2 2 32 184.327 1
Hi High (pH 8-9.5) 1.25 4.89 -28.37 3 2 1 30 183.319 1

Activity (Go SEA)

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