UCSF

ZINC34667773

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 32 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) 3.89 10.94 -16.99 1 7 0 75 450.926 5
Mid Mid (pH 6-8) 3.89 11.29 -45.47 2 7 1 76 451.934 5

Activity (Go SEA)

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