UCSF

ZINC31934545

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 2.75 4.37 -53.45 4 5 1 83 336.481 5
Hi High (pH 8-9.5) 3.21 3.34 -44.36 3 5 0 86 335.473 5
Hi High (pH 8-9.5) 2.75 2.88 -14.16 3 5 0 78 335.473 5

Activity (Go SEA)

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