UCSF

ZINC31921375

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 24 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) 5.09 12.36 -13.39 0 3 0 41 311.388 2
Lo Low (pH 4.5-6) 5.09 12.77 -34.17 1 3 1 42 312.396 2

Activity (Go SEA)

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