UCSF

ZINC09234205

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 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 13.29 -45.15 0 4 -1 60 412.44 4
Ref Reference (pH 7) 5.01 13.01 -48.98 0 4 -1 60 412.44 5
Mid Mid (pH 6-8) 5.01 12.78 -13.14 1 4 0 58 413.448 5
Mid Mid (pH 6-8) 4.43 13.23 -9.31 0 4 0 54 413.448 5

Activity (Go SEA)

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