UCSF

ZINC21801176

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 18 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) 3.85 6.65 -5.58 1 3 0 30 249.402 2
Mid Mid (pH 6-8) 3.85 6.75 -27.42 2 3 1 31 250.41 2

Activity (Go SEA)

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