UCSF

ZINC77265906

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2012 22 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) 2.88 3.92 -6.35 0 5 0 47 319.792 4
Mid Mid (pH 6-8) 2.88 5.81 -43.34 1 5 1 49 320.8 4

Activity (Go SEA)

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

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