UCSF

ZINC43411596

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 0.30 0.92 -40.09 3 5 1 59 275.413 9
Mid Mid (pH 6-8) 0.30 1.64 -32.71 3 5 1 55 275.413 9
Lo Low (pH 4.5-6) 0.30 3.02 -111.17 4 5 2 60 276.421 9

Activity (Go SEA)

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