UCSF

ZINC40545743

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 14 No

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) 2.62 7.8 -50.78 0 3 -1 30 200.246 0
Mid Mid (pH 6-8) 1.89 7.69 -11.77 1 3 0 33 201.254 0

Activity (Go SEA)

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