UCSF

ZINC05308240

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 20 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) 2.01 0.57 -57.59 1 6 -1 99 297.356 6
Lo Low (pH 4.5-6) 1.49 2.57 -20.3 2 6 0 92 298.364 6

Activity (Go SEA)

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