UCSF

ZINC25358002

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2009 29 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) 4.39 10.04 -45.5 2 5 1 44 419.973 10
Mid Mid (pH 6-8) 4.39 7.98 -7.68 1 5 0 43 418.965 10
Mid Mid (pH 6-8) 4.39 9.26 -54.1 2 5 1 48 419.973 10
Lo Low (pH 4.5-6) 4.39 11.33 -139.37 3 5 2 49 420.981 10

Activity (Go SEA)

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