UCSF

ZINC21784142

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 28 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) 4.31 5.66 -46.26 2 6 -1 98 412.878 4
Mid Mid (pH 6-8) 3.85 6.78 -17.22 3 6 0 95 413.886 4

Activity (Go SEA)

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