UCSF

ZINC31901246

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) -1.64 0.31 -145.53 4 8 -1 149 342.397 9
Lo Low (pH 4.5-6) -1.27 2.24 -81.34 5 8 0 143 343.405 8

Activity (Go SEA)

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