UCSF

ZINC06794678

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 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) 4.96 13.97 -43.61 2 5 0 71 414.505 9
Mid Mid (pH 6-8) 4.96 12.61 -52.74 1 5 -1 66 413.497 9

Activity (Go SEA)

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