UCSF

ZINC05936565

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 19 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) 2.32 6.48 -13.2 1 6 0 88 277.667 3
Lo Low (pH 4.5-6) 2.32 6.76 -41.22 2 6 1 89 278.675 3

Activity (Go SEA)

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