UCSF

ZINC69145793

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 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) 1.02 1.86 -45.46 4 5 1 72 282.408 5
Mid Mid (pH 6-8) 1.02 2.74 -34.99 4 5 1 69 282.408 5
Mid Mid (pH 6-8) 1.02 0.26 -6.69 3 5 0 68 281.4 5

Activity (Go SEA)

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

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