UCSF

ZINC31979059

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 2.35 5.96 -44.04 1 5 -1 78 294.371 9
Lo Low (pH 4.5-6) 2.35 4.84 -10.14 2 5 0 76 295.379 9

Activity (Go SEA)

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