UCSF

ZINC57730483

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 18 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) 4.94 9.36 -2.31 1 2 0 21 245.366 6
Mid Mid (pH 6-8) 4.94 9.09 -26.96 2 2 1 26 246.374 6

Activity (Go SEA)

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