UCSF

ZINC04155959

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 32 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) 5.80 0.72 -11.78 1 3 0 38 450.554 9
Mid Mid (pH 6-8) 5.80 0.97 -38.87 2 3 1 39 451.562 9

Activity (Go SEA)

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