UCSF

ZINC39292225

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 14 No

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) -0.08 4.22 -10.55 0 4 0 50 192.218 1
Lo Low (pH 4.5-6) -0.08 4.45 -33.4 1 4 1 52 193.226 1

Activity (Go SEA)

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