UCSF

ZINC38466560

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2010 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) 3.49 8.64 -20.54 0 6 0 69 398.484 8
Lo Low (pH 4.5-6) 3.49 9.11 -48.46 1 6 1 70 399.492 8

Activity (Go SEA)

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