UCSF

ZINC19392169

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 21 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) 2.00 5.9 -131.94 4 5 2 60 298.427 9
Mid Mid (pH 6-8) 2.00 3.5 -55.36 3 5 1 59 297.419 9

Activity (Go SEA)

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