UCSF

ZINC39331231

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 16 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) 2.43 3.09 -4.92 2 3 0 41 222.332 0
Mid Mid (pH 6-8) 2.43 4.05 -39.7 3 3 1 46 223.34 0

Activity (Go SEA)

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