UCSF

ZINC43478255

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 19 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) 1.93 8.06 -82.36 3 4 2 45 281.787 6
Mid Mid (pH 6-8) 1.93 7.58 -48.36 2 4 1 44 280.779 6

Activity (Go SEA)

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