UCSF

ZINC06428248

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 28 No

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) 5.07 9.17 -12 1 5 0 71 392.842 5
Hi High (pH 8-9.5) 5.25 7.51 -41.73 0 5 -1 78 391.834 5

Activity (Go SEA)

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