UCSF

ZINC04896432

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2006 29 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) -1.61 7.76 -234.07 0 12 -4 197 420.367 20
Lo Low (pH 4.5-6) -1.61 5.79 -162.05 1 12 -3 195 421.375 20

Activity (Go SEA)

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