UCSF

ZINC39123715

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.31 4.77 -159.92 1 6 -2 117 209.157 2
Lo Low (pH 4.5-6) 0.31 3.77 -102.16 2 6 -1 115 210.165 2

Activity (Go SEA)

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