UCSF

ZINC23068177

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 14 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) 0.85 5.52 -102.66 4 3 2 47 195.31 1
Hi High (pH 8-9.5) 0.85 5.09 -46.2 3 3 1 45 194.302 1

Activity (Go SEA)

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