UCSF

ZINC11820547

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 23 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) 1.67 -1.88 -47 2 4 1 47 347.533 3
Lo Low (pH 4.5-6) 1.67 -1.74 -92.16 3 4 2 49 348.541 3

Activity (Go SEA)

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