UCSF

ZINC39382506

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 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) 3.02 4.23 -9.07 1 2 0 37 198.649 3
Hi High (pH 8-9.5) 3.02 5 -40.36 0 2 -1 40 197.641 3

Activity (Go SEA)

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