UCSF

ZINC31935135

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) 3.77 8.78 -53.36 3 4 1 54 322.432 6
Lo Low (pH 4.5-6) 3.77 9.2 -101.32 4 4 2 55 323.44 6

Activity (Go SEA)

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