UCSF

ZINC22339911

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 32 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) 5.55 12.59 -47.99 0 6 -1 89 460.512 7
Lo Low (pH 4.5-6) 5.09 13.69 -16.87 1 6 0 85 461.52 7

Activity (Go SEA)

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