UCSF

ZINC62743566

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2011 18 Yes

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) 1.44 4 -48.98 2 5 1 68 247.322 6
Lo Low (pH 4.5-6) 1.44 4.46 -90.3 3 5 2 70 248.33 6

Activity (Go SEA)

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