UCSF

ZINC13283500

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 13 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) 0.86 7.31 -43.25 1 3 1 22 182.291 5
Mid Mid (pH 6-8) 0.86 7.78 -89.29 2 3 2 24 183.299 5

Activity (Go SEA)

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