UCSF

ZINC52289150

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 15 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) -0.49 3.05 -7.66 3 3 0 55 204.273 3
Mid Mid (pH 6-8) -0.49 3.37 -43.36 4 3 1 57 205.281 3

Activity (Go SEA)

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