UCSF

ZINC41629893

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 25 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) 2.79 4.76 -11.23 1 6 0 68 372.462 5
Hi High (pH 8-9.5) 2.79 4.62 -48.61 0 6 -1 70 371.454 5

Activity (Go SEA)

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

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