UCSF

ZINC04484572

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2005 25 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) 4.59 0.26 -10.75 1 4 0 46 353.491 6
Mid Mid (pH 6-8) 4.59 0.47 -33.92 2 4 1 48 354.499 6

Activity (Go SEA)

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