UCSF

ZINC06688981

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 29 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) 3.95 12.94 -45.56 1 5 1 53 400.449 6
Mid Mid (pH 6-8) 3.95 12.75 -16.7 0 5 0 51 399.441 6

Activity (Go SEA)

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