UCSF

ZINC36754399

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.75 2.71 -45.79 3 4 1 49 249.334 2
Lo Low (pH 4.5-6) 0.75 4.93 -110.78 4 4 2 51 250.342 2

Activity (Go SEA)

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