UCSF

ZINC17988585

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 30 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) 3.52 10.46 -15.02 1 7 0 101 405.406 6
Ref Reference (pH 7) 3.52 10.46 -15.01 1 7 0 101 405.406 6
Hi High (pH 8-9.5) 3.52 11.46 -56.61 0 7 -1 104 404.398 6
Hi High (pH 8-9.5) 3.52 11.46 -56.62 0 7 -1 104 404.398 6
Mid Mid (pH 6-8) 3.52 11.49 -59.57 0 7 -1 104 404.398 6

Activity (Go SEA)

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

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