UCSF

ZINC36198844

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) 3.05 9.38 -111.89 4 2 2 32 270.42 6
Hi High (pH 8-9.5) 3.05 8.97 -33.89 3 2 1 30 269.412 6

Activity (Go SEA)

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