UCSF

ZINC41231632

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 1.85 2.77 -9.14 2 3 0 41 218.3 1
Mid Mid (pH 6-8) 1.85 4.06 -45.49 3 3 1 46 219.308 1

Activity (Go SEA)

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