UCSF

ZINC08670599

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2007 32 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) 1.70 -1.64 -119.72 2 10 -2 163 480.568 11
Lo Low (pH 4.5-6) 2.07 0.32 -65.46 3 10 -1 157 481.576 10

Activity (Go SEA)

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