UCSF

ZINC71496562

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 12 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) -0.29 -0.11 -44.35 3 3 1 40 171.264 1
Mid Mid (pH 6-8) -0.29 2.08 -102.49 4 3 2 41 172.272 1

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.