UCSF

ZINC53335569

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 16 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) 1.64 6 -87.15 3 3 2 34 241.404 5
Hi High (pH 8-9.5) 1.64 2.48 -4.83 1 3 0 28 239.388 5
Mid Mid (pH 6-8) 1.64 4.6 -36.02 2 3 1 29 240.396 5

Activity (Go SEA)

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

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