UCSF

ZINC50906500

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2010 18 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) 2.72 7.05 -52.57 0 4 -1 56 247.318 3
Mid Mid (pH 6-8) 2.72 6.05 -9.96 1 4 0 53 248.326 3
Mid Mid (pH 6-8) 2.72 5.07 -28.48 1 4 0 58 248.326 3

Activity (Go SEA)

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

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