UCSF

ZINC04172536

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 34 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) 7.25 16.12 -10.37 1 3 0 38 470.682 10
Mid Mid (pH 6-8) 7.25 16.58 -31.11 2 3 1 39 471.69 10

Activity (Go SEA)

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