UCSF

ZINC54930928

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 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) 1.44 1.93 -6.35 0 3 0 29 183.642 0
Mid Mid (pH 6-8) 1.44 4.34 -48.98 1 3 1 30 184.65 0

Activity (Go SEA)

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

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