UCSF

ZINC37005186

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 1.39 1.67 -45.51 5 4 1 77 251.35 5
Mid Mid (pH 6-8) 1.39 1.35 -9.23 4 4 0 75 250.342 5

Activity (Go SEA)

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