UCSF

ZINC36169101

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 2.61 7.55 -106.56 4 2 2 32 270.367 4
Hi High (pH 8-9.5) 2.61 7.84 -23.83 3 2 1 30 269.359 4
Mid Mid (pH 6-8) 2.61 5.94 -41.32 3 2 1 31 269.359 4

Activity (Go SEA)

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