UCSF

ZINC25147542

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 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) 1.15 1.33 -22.17 3 8 0 121 415.349 6
Hi High (pH 8-9.5) 2.05 0.27 -48.72 2 8 -1 124 414.341 6

Activity (Go SEA)

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