UCSF

ZINC35234861

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 21 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) 4.73 8.92 -111.93 4 2 2 32 294.527 4
Hi High (pH 8-9.5) 4.73 8.55 -28.9 3 2 1 30 293.519 4
Hi High (pH 8-9.5) 4.73 7.33 -43.55 3 2 1 31 293.519 4

Activity (Go SEA)

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