UCSF

ZINC01453172

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 27 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) 5.51 10.38 -35.6 1 4 1 46 403.285 4
Hi High (pH 8-9.5) 5.51 9.45 -9.68 0 4 0 44 402.277 4

Activity (Go SEA)

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

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