UCSF

ZINC48354050

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 25 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) 2.89 8.97 -39.56 1 5 1 37 413.38 6
Mid Mid (pH 6-8) 2.89 8.29 -33.38 1 5 1 37 413.38 6
Mid Mid (pH 6-8) 2.89 6.62 -8.46 0 5 0 36 412.372 6

Activity (Go SEA)

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