UCSF

ZINC33546788

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2009 37 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) 5.98 13.66 -54.07 0 7 -1 92 513.595 9
Lo Low (pH 4.5-6) 5.98 12.36 -19.41 1 7 0 89 514.603 9

Activity (Go SEA)

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