UCSF

ZINC49581086

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 25 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) 4.83 10.33 -11.27 0 4 0 43 355.821 5
Mid Mid (pH 6-8) 4.83 11.12 -9.66 0 4 0 43 355.821 5

Activity (Go SEA)

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