UCSF

ZINC52345184

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 18 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) 0.88 6.33 -13.3 0 5 0 47 251.33 8
Mid Mid (pH 6-8) 0.88 7.48 -27.85 1 5 1 49 252.338 8
Lo Low (pH 4.5-6) 0.88 8.76 -33.86 1 5 1 49 252.338 8

Activity (Go SEA)

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

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