UCSF

ZINC44459182

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2010 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) -1.29 -0.04 -29.88 4 9 0 138 349.372 6
Hi High (pH 8-9.5) -1.47 -1.36 -61.28 3 9 -1 145 348.364 6

Activity (Go SEA)

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