UCSF

ZINC44809224

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 19 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 5.38 -13.35 0 4 0 47 257.337 2
Mid Mid (pH 6-8) 1.67 7.72 -60.96 1 4 1 49 258.345 2

Activity (Go SEA)

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