UCSF

ZINC00208747

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 19 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) 4.35 9.36 -44.76 0 2 -1 40 249.289 1
Mid Mid (pH 6-8) 3.19 3.95 -13.64 0 2 0 34 250.297 1

Activity (Go SEA)

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