UCSF

ZINC05520367

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2006 25 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) 4.10 10.47 -58.79 0 6 -1 87 352.395 4
Lo Low (pH 4.5-6) 4.10 10.32 -75.77 1 6 0 89 353.403 4

Activity (Go SEA)

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