UCSF

ZINC61820183

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 18 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) 1.02 4.1 -6.61 3 5 0 75 248.33 2
Lo Low (pH 4.5-6) 1.02 4.04 -34.77 4 5 1 76 249.338 2
Lo Low (pH 4.5-6) 1.02 4.43 -34.08 4 5 1 76 249.338 2

Activity (Go SEA)

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