UCSF

ZINC21215553

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 19 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) 0.75 0.84 -32.69 2 7 0 101 298.349 4
Hi High (pH 8-9.5) 0.82 0.01 -106.84 0 7 -2 109 296.333 4
Mid Mid (pH 6-8) 0.75 0.92 -60.3 1 7 -1 103 297.341 4

Activity (Go SEA)

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