UCSF

ZINC53428297

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) 2.33 10.38 -191.53 4 3 3 25 278.464 7
Mid Mid (pH 6-8) 2.33 9.02 -93.5 3 3 2 21 277.456 7
Mid Mid (pH 6-8) 2.33 8.16 -85.58 3 3 2 24 277.456 7

Activity (Go SEA)

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

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