UCSF

ZINC33695599

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 29 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) 2.69 7.44 -56.82 1 8 -1 111 412.447 5
Lo Low (pH 4.5-6) -0.98 8.47 -75.68 2 8 0 111 413.455 6

Activity (Go SEA)

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