UCSF

ZINC38450501

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2010 28 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) 2.83 8.73 -17.02 1 6 0 69 376.46 5
Mid Mid (pH 6-8) 2.83 10.79 -54.5 2 6 1 70 377.468 5

Activity (Go SEA)

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