UCSF

ZINC33814175

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 35 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) 1.82 8.01 -53.02 0 10 -1 115 480.497 9
Lo Low (pH 4.5-6) 1.82 6.87 -24.91 1 10 0 112 481.505 9

Activity (Go SEA)

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