UCSF

ZINC39222715

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 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 3.56 -44.61 3 4 -1 78 165.172 3
Lo Low (pH 4.5-6) 0.56 3.36 -59.65 4 4 0 80 166.18 3

Activity (Go SEA)

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