UCSF

ZINC34873322

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 17 No

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) 2.60 7.45 -8.29 0 4 0 49 232.283 5
Mid Mid (pH 6-8) 2.60 9.5 -49.37 1 4 1 50 233.291 5

Activity (Go SEA)

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