UCSF

ZINC21882391

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 34 No

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) 3.28 7.51 -20.75 0 8 0 89 458.518 5
Mid Mid (pH 6-8) 3.28 9.8 -53.79 1 8 1 90 459.526 5

Activity (Go SEA)

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