UCSF

ZINC34528068

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 25 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) 1.16 3.99 -37.7 4 5 1 74 341.431 5
Hi High (pH 8-9.5) 1.16 4.35 -23.44 3 5 0 77 340.423 5

Activity (Go SEA)

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