UCSF

ZINC16737243

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 27 No

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) 2.94 5.97 -12.06 2 5 0 78 434.261 6
Mid Mid (pH 6-8) 2.36 6.66 -16.29 1 5 0 75 434.261 6

Activity (Go SEA)

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