UCSF

ZINC09232960

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 31 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) 2.05 9.84 -12.56 1 6 0 75 413.477 6
Lo Low (pH 4.5-6) 2.05 10.29 -46.83 2 6 1 77 414.485 6

Activity (Go SEA)

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