UCSF

ZINC53147351

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 15 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) 1.57 5.13 -47.36 3 2 1 37 249.161 5
Mid Mid (pH 6-8) 1.57 4.78 -3.03 2 2 0 35 248.153 5

Activity (Go SEA)

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