UCSF

ZINC36754306

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 14 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) -0.46 -0.08 -44.89 3 4 1 57 193.274 2
Mid Mid (pH 6-8) -0.46 1.88 -36.9 3 4 1 56 193.274 2

Activity (Go SEA)

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

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