UCSF

ZINC20547666

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 20 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) 1.77 2.84 -53.38 2 6 -1 102 311.364 5
Hi High (pH 8-9.5) 1.77 2.92 -103.4 1 6 -2 104 310.356 5

Activity (Go SEA)

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