UCSF

ZINC21806794

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 15 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) 5.02 9.05 -33.38 2 1 1 17 212.401 6

Activity (Go SEA)

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