UCSF

ZINC45302189

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 33 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) 7.32 17.26 -25.58 2 5 1 57 448.631 8
Mid Mid (pH 6-8) 7.32 17.33 -16.38 1 5 0 56 447.623 8
Mid Mid (pH 6-8) 7.32 17.16 -36.36 2 5 1 60 448.631 8
Lo Low (pH 4.5-6) 7.32 17.41 -85.32 3 5 2 61 449.639 8

Activity (Go SEA)

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