UCSF

ZINC54864395

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 16 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) -1.11 0.81 -48.04 4 5 1 73 241.34 2
Mid Mid (pH 6-8) -1.11 0.47 -9.16 3 5 0 71 240.332 2

Activity (Go SEA)

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

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