UCSF

ZINC49109316

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2010 27 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) -2.40 1.33 -54.75 6 11 0 173 398.445 8
Hi High (pH 8-9.5) -2.40 0.98 -57.45 5 11 -1 171 397.437 8

Activity (Go SEA)

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