UCSF

ZINC20588184

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 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) 1.49 4.85 -51.77 2 6 -1 75 251.291 3
Mid Mid (pH 6-8) 0.77 5 -17.44 3 6 0 78 252.299 3

Activity (Go SEA)

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