UCSF

ZINC04879848

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 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) 4.17 9.25 -14.45 2 5 0 71 356.426 5
Hi High (pH 8-9.5) 4.17 9.05 -51.48 1 5 -1 69 355.418 5

Activity (Go SEA)

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