UCSF

ZINC08418261

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 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) 5.50 8.58 -45.78 1 5 -1 77 395.847 4
Lo Low (pH 4.5-6) 5.50 9.23 -18.75 2 5 0 75 396.855 4

Activity (Go SEA)

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