UCSF

ZINC19884936

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 27 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) 3.36 10.41 -74.66 1 5 0 65 449.37 7
Lo Low (pH 4.5-6) 3.36 9.59 -50.66 2 5 1 62 450.378 7

Activity (Go SEA)

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