UCSF

ZINC26528875

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 23 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) 3.50 4.57 -11.55 1 5 0 65 359.806 5
Mid Mid (pH 6-8) 3.50 4.99 -37.78 0 5 -1 67 358.798 5

Activity (Go SEA)

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