UCSF

ZINC44679385

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 12 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) -0.58 1.42 -86.87 5 3 2 44 171.288 4
Hi High (pH 8-9.5) -0.58 -0.92 -42.27 4 3 1 43 170.28 4

Activity (Go SEA)

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