UCSF

ZINC24077168

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2009 24 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) 2.11 5.77 -14.1 1 5 0 60 336.338 8
Lo Low (pH 4.5-6) 2.11 6.21 -45.39 2 5 1 62 337.346 8

Activity (Go SEA)

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