UCSF

ZINC04878746

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 28 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) 3.65 10.47 -14.31 2 7 0 85 378.411 3
Lo Low (pH 4.5-6) 3.83 10.82 -36.92 3 7 1 90 379.419 3

Activity (Go SEA)

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