UCSF

ZINC53446028

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 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) 1.79 5.95 -42.77 2 4 1 42 281.42 11
Mid Mid (pH 6-8) 1.79 8.37 -119.67 3 4 2 43 282.428 11
Mid Mid (pH 6-8) 1.79 7.01 -34.19 2 4 1 39 281.42 11

Activity (Go SEA)

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

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