UCSF

ZINC52854530

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 21 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) 1.54 7.69 -48.23 3 4 1 48 283.399 2
Hi High (pH 8-9.5) 1.54 5.26 -8.52 2 4 0 47 282.391 2
Mid Mid (pH 6-8) 1.54 8.06 -84.39 4 4 2 50 284.407 2

Activity (Go SEA)

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

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