UCSF

ZINC25453552

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 28 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) 4.26 8.98 -45.09 0 6 -1 79 419.889 4
Mid Mid (pH 6-8) 4.26 8.91 -18.81 1 6 0 77 420.897 4

Activity (Go SEA)

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