UCSF

ZINC35582801

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 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) 6.29 11.72 -38.6 2 1 1 17 353.349 7
Hi High (pH 8-9.5) 6.29 10.62 -2.28 1 1 0 12 352.341 7

Activity (Go SEA)

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