UCSF

ZINC21799919

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 17 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) 2.80 6.35 -7.7 0 3 0 21 249.745 2
Mid Mid (pH 6-8) 2.80 6.77 -26.93 1 3 1 22 250.753 2
Mid Mid (pH 6-8) 2.80 8.57 -48.26 1 3 1 22 250.753 2

Activity (Go SEA)

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