UCSF

ZINC26423979

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 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) 3.27 7.82 -43.52 2 3 1 29 250.391 5
Hi High (pH 8-9.5) 3.27 5.3 -7.82 1 3 0 28 249.383 5

Activity (Go SEA)

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