UCSF

ZINC44726721

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 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) 0.74 4.17 -93.32 5 4 2 61 241.379 6
Mid Mid (pH 6-8) 0.74 3.83 -37.92 4 4 1 60 240.371 6

Activity (Go SEA)

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