UCSF

ZINC33814208

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 30 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) 1.68 5.64 -52.29 1 8 -1 107 406.418 6
Lo Low (pH 4.5-6) 1.68 4.5 -22.1 2 8 0 104 407.426 6

Activity (Go SEA)

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