UCSF

ZINC39576538

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2010 17 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) 2.01 8.69 -133.03 0 4 -2 80 234.251 2
Mid Mid (pH 6-8) 2.01 6.33 -50.85 1 4 -1 77 235.259 2
Lo Low (pH 4.5-6) 2.01 4.66 -9.8 2 4 0 75 236.267 2

Activity (Go SEA)

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