UCSF

ZINC37022456

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 1.53 3.46 -5.37 0 2 0 27 138.214 2
Lo Low (pH 4.5-6) 1.53 5.73 -42.87 1 2 1 28 139.222 2

Activity (Go SEA)

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