UCSF

ZINC69894682

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 14 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) 1.29 2.7 -45.99 3 3 1 50 213.326 2
Mid Mid (pH 6-8) 1.29 2.17 -5.19 2 3 0 48 212.318 2

Activity (Go SEA)

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

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