UCSF

ZINC31487333

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 31 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) 5.00 6.66 -10.54 1 7 0 80 458.971 7
Lo Low (pH 4.5-6) 5.00 6.88 -45.55 2 7 1 82 459.979 7

Activity (Go SEA)

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