UCSF

ZINC20200329

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 19 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) 2.77 8.05 -94.89 3 3 2 24 269.477 5
Mid Mid (pH 6-8) 2.77 7.48 -119.06 3 3 2 24 269.477 5
Mid Mid (pH 6-8) 2.77 5.57 -38.25 2 3 1 23 268.469 5

Activity (Go SEA)

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