UCSF

ZINC37335575

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 14 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) 3.07 7.62 -37.3 1 2 1 22 232.756 5
Mid Mid (pH 6-8) 3.07 5.36 -4.59 0 2 0 20 231.748 5

Activity (Go SEA)

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