UCSF

ZINC40809437

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 20 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) 3.33 3.31 -10.38 2 5 0 79 320.48 9
Mid Mid (pH 6-8) 3.79 1.01 -40.8 1 5 -1 82 319.472 9

Activity (Go SEA)

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