UCSF

ZINC20120643

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 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) 2.86 5.21 -3.43 1 3 0 24 280.387 5
Mid Mid (pH 6-8) 2.86 6.25 -39.68 2 3 1 29 281.395 5
Lo Low (pH 4.5-6) 2.86 7.05 -37.48 2 3 1 26 281.395 5

Activity (Go SEA)

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

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