UCSF

ZINC33766356

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 33 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) 1.54 9.16 -52.09 0 9 -1 125 461.479 8
Lo Low (pH 4.5-6) 1.54 7.87 -22.57 1 9 0 123 462.487 8

Activity (Go SEA)

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