UCSF

ZINC37984888

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 3.59 5.77 -46.86 3 3 1 46 351.33 10
Mid Mid (pH 6-8) 3.59 4.37 -5.39 2 3 0 41 350.322 10

Activity (Go SEA)

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