UCSF

ZINC39869644

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 35 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 5.69 10.33 -17.75 2 7 0 89 482.565 6
Mid Mid (pH 6-8) 5.69 9.55 -48.27 1 7 -1 91 481.557 6

Activity (Go SEA)

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