UCSF

ZINC67434850

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 25 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) 0.76 5.29 -49.22 3 6 1 69 348.467 6
Mid Mid (pH 6-8) 0.76 4.64 -52.76 3 6 1 69 348.467 6
Mid Mid (pH 6-8) 0.76 7.34 -119.34 4 6 2 70 349.475 6

Activity (Go SEA)

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

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