UCSF

ZINC37856059

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.85 6.42 -110.77 4 3 2 41 270.392 9
Hi High (pH 8-9.5) 1.85 5.02 -35.01 3 3 1 37 269.384 9
Mid Mid (pH 6-8) 1.85 6.97 -46.39 3 3 1 44 269.384 9

Activity (Go SEA)

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