UCSF

ZINC39320197

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 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) 1.67 2.74 -8.37 1 3 0 32 196.637 1
Mid Mid (pH 6-8) 1.67 4.24 -58.38 2 3 1 37 197.645 1

Activity (Go SEA)

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