UCSF

ZINC53650419

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 2.47 7.31 -34.8 2 3 1 26 277.432 9
Mid Mid (pH 6-8) 2.47 8.6 -113.48 3 3 2 30 278.44 9
Mid Mid (pH 6-8) 2.47 6.28 -40.26 2 3 1 29 277.432 9

Activity (Go SEA)

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

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