UCSF

ZINC06314599

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 29 No

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) 1.38 -3.51 -16.14 2 7 0 99 414.483 5
Mid Mid (pH 6-8) 0.80 -3.73 -23.31 1 7 0 96 414.483 5

Activity (Go SEA)

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