UCSF

ZINC06782076

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 21 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) 3.54 6.83 -9.8 2 5 0 71 345.255 5
Mid Mid (pH 6-8) 3.54 6.89 -12.01 2 5 0 71 345.255 5

Activity (Go SEA)

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