UCSF

ZINC21704867

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 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) 5.22 11.9 -21.67 2 5 0 59 384.483 5
Mid Mid (pH 6-8) 5.22 12.31 -45.77 3 5 1 60 385.491 5

Activity (Go SEA)

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