UCSF

ZINC20313384

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 13 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) 0.77 3.79 -49.82 3 3 1 45 182.291 4
Lo Low (pH 4.5-6) 0.77 3.91 -94.36 4 3 2 47 183.299 4

Activity (Go SEA)

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