UCSF

ZINC04786244

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 12 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) 0.56 5.73 -40.61 0 3 -1 57 167.184 2
Lo Low (pH 4.5-6) 0.56 2.86 -10.99 1 3 0 54 168.192 2

Activity (Go SEA)

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