UCSF

ZINC38599485

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.38 6.6 -81.04 3 7 2 77 425.327 6
Mid Mid (pH 6-8) 2.38 6.48 -99.29 3 7 2 77 425.327 6
Mid Mid (pH 6-8) 2.38 4.31 -31.7 2 7 1 76 424.319 6

Activity (Go SEA)

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

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