UCSF

ZINC45797647

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2010 16 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) 0.74 3.62 -42.15 1 5 1 45 250.388 4
Mid Mid (pH 6-8) 0.74 1.71 -7.59 0 5 0 44 249.38 4

Activity (Go SEA)

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