UCSF

ZINC36356898

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 29 Yes

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) 3.19 7.38 -13.59 1 7 0 78 413.861 5
Ref Reference (pH 7) 3.00 10.03 -13.94 1 7 0 75 413.861 5
Lo Low (pH 4.5-6) 3.19 7.84 -43.31 2 7 1 79 414.869 5

Activity (Go SEA)

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