UCSF

ZINC13208363

Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 2008 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) 2.82 5.9 -62.48 1 7 -1 99 410.446 9
Lo Low (pH 4.5-6) 2.82 5.08 -16.87 2 7 0 96 411.454 9

Activity (Go SEA)

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