UCSF

ZINC06813150

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 31 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) 5.01 13.26 -45.07 0 4 -1 60 412.44 4
Ref Reference (pH 7) 5.01 13.02 -49.17 0 4 -1 60 412.44 5
Lo Low (pH 4.5-6) 5.01 12.17 -12.08 1 4 0 58 413.448 5

Activity (Go SEA)

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