UCSF

ZINC25444369

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 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) 3.33 7.35 -15.89 2 6 0 84 401.319 6
Hi High (pH 8-9.5) 3.52 6.28 -40.92 1 6 -1 90 400.311 6

Activity (Go SEA)

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