UCSF

ZINC16609099

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 26 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) 4.61 9.09 -8.74 0 4 0 38 351.425 3
Mid Mid (pH 6-8) 4.61 11.37 -43.83 1 4 1 39 352.433 3

Activity (Go SEA)

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