UCSF

ZINC39945271

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2010 30 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) 4.82 8.28 -103.05 2 8 -2 145 402.362 6
Lo Low (pH 4.5-6) 4.82 8.64 -113.82 3 8 -1 147 403.37 6

Activity (Go SEA)

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