UCSF

ZINC38522682

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 10 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) -2.22 -8.78 -5.33 5 5 0 85 148.162 1
Lo Low (pH 4.5-6) -2.22 -8.28 -39.54 6 5 1 89 149.17 1

Activity (Go SEA)

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