UCSF

ZINC36357662

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) 3.00 6.86 -12.8 1 7 0 78 413.861 5
Ref Reference (pH 7) 2.82 9.53 -13.24 1 7 0 75 413.861 5
Lo Low (pH 4.5-6) 2.82 9.99 -45.48 2 7 1 76 414.869 5

Activity (Go SEA)

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