UCSF

ZINC41683973

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) -0.34 0.82 -35.48 1 8 -1 115 268.249 6
Mid Mid (pH 6-8) -0.80 1.34 -13.77 2 8 0 112 269.257 6

Activity (Go SEA)

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