UCSF

ZINC16736203

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 30 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) 4.48 9.68 -12.32 1 6 0 84 481.327 4
Mid Mid (pH 6-8) 3.90 10.4 -14.57 0 6 0 80 481.327 4

Activity (Go SEA)

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