UCSF

ZINC19898849

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 34 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) 5.77 8.87 -10.67 2 6 0 81 457.574 7
Lo Low (pH 4.5-6) 5.77 9.32 -55.71 3 6 1 82 458.582 7

Activity (Go SEA)

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