UCSF

ZINC49678350

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 38 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) 3.54 5.88 -25.97 1 10 0 144 565.738 7
Lo Low (pH 4.5-6) 3.54 5.71 -36.65 2 10 0 142 566.746 7

Activity (Go SEA)

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