UCSF

ZINC05565092

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 30 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) 2.66 7.69 -61.38 0 7 -1 92 410.446 7
Lo Low (pH 4.5-6) 2.66 6.93 -12.88 1 7 0 89 411.454 7

Activity (Go SEA)

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