UCSF

ZINC68908122

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 15 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) 0.99 3.36 -33.93 2 3 1 28 213.345 4
Mid Mid (pH 6-8) 0.99 5.74 -97.83 3 3 2 29 214.353 4
Mid Mid (pH 6-8) 0.99 2.98 -34.5 2 3 1 28 213.345 4

Activity (Go SEA)

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

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