UCSF

ZINC37872139

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 16 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) 1.15 2.13 -6.3 2 3 0 41 219.284 5
Mid Mid (pH 6-8) 1.15 3.49 -38.52 3 3 1 46 220.292 5

Activity (Go SEA)

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