UCSF

ZINC20200316

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 16 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) 1.60 6.04 -90.7 3 3 2 24 229.412 5
Mid Mid (pH 6-8) 1.60 5.53 -112.84 3 3 2 24 229.412 5
Mid Mid (pH 6-8) 1.60 3.56 -35.7 2 3 1 23 228.404 5

Activity (Go SEA)

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