UCSF

ZINC20129030

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 16 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) 2.02 7.12 -103.34 3 3 2 34 224.348 6
Hi High (pH 8-9.5) 2.02 5.82 -35.93 2 3 1 30 223.34 6
Mid Mid (pH 6-8) 2.02 4.59 -38.26 2 3 1 33 223.34 6

Activity (Go SEA)

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

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