UCSF

ZINC21643049

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 33 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 13.68 -53.23 2 5 1 45 466.581 7
Mid Mid (pH 6-8) 5.22 11.37 -9.36 1 5 0 44 465.573 7

Activity (Go SEA)

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