UCSF

ZINC13281225

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 26 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) 2.23 11.44 -17.96 0 8 0 88 356.382 4
Mid Mid (pH 6-8) 2.23 11.93 -54.93 1 8 1 89 357.39 4

Activity (Go SEA)

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