UCSF

ZINC40389545

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 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) 5.47 14.84 -48.02 1 4 1 31 388.535 9
Lo Low (pH 4.5-6) 5.47 15.49 -96.24 2 4 2 33 389.543 9

Activity (Go SEA)

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