UCSF

ZINC69578882

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2011 25 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) 3.42 7.91 -11.8 1 7 0 98 338.319 5
Mid Mid (pH 6-8) 3.42 7.4 -16.81 1 7 0 98 338.319 5
Mid Mid (pH 6-8) 3.88 6.09 -43.17 0 7 -1 101 337.311 5

Activity (Go SEA)

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

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