UCSF

ZINC39393593

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 31 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) 2.72 9.09 -50.78 2 5 1 50 426.625 12
Mid Mid (pH 6-8) 2.72 10.15 -108.59 3 5 2 51 427.633 12

Activity (Go SEA)

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