UCSF

ZINC06249233

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 23 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) 3.82 8.76 -8.67 1 6 0 78 331.397 4
Lo Low (pH 4.5-6) 3.82 9.39 -38.79 2 6 1 79 332.405 4

Activity (Go SEA)

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