UCSF

ZINC41678948

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 12 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) 1.24 0.95 -41.36 4 3 1 60 250.141 3
Mid Mid (pH 6-8) 1.24 -0.36 -9.56 3 3 0 55 249.133 3

Activity (Go SEA)

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