UCSF

ZINC40446185

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 20 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) 2.45 5.16 -41.39 2 4 1 51 364.26 3
Hi High (pH 8-9.5) 2.45 4.99 -35.51 1 4 0 53 363.252 3
Hi High (pH 8-9.5) 2.45 2.75 -6.71 1 4 0 49 363.252 3

Activity (Go SEA)

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

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