UCSF

ZINC20247759

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 16 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) -0.85 -1.36 -58.73 3 6 1 75 250.344 4
Mid Mid (pH 6-8) -0.85 -2.76 -11.92 2 6 0 71 249.336 4

Activity (Go SEA)

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