UCSF

ZINC20142653

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 17 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) 2.48 5.2 -43.27 2 3 1 39 251.375 6
Mid Mid (pH 6-8) 2.48 3.92 -8.58 1 3 0 34 250.367 6

Activity (Go SEA)

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