UCSF

ZINC48468440

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2010 23 No

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) 0.20 5.87 -47.73 1 8 -1 99 316.341 4
Mid Mid (pH 6-8) 0.74 6.92 -12.69 2 8 0 96 317.349 2
Mid Mid (pH 6-8) 0.57 7.02 -51.96 1 8 -1 91 316.341 3

Activity (Go SEA)

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

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