UCSF

ZINC31921820

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 19 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) 2.51 8.15 -14.3 0 4 0 54 248.289 2
Lo Low (pH 4.5-6) 2.51 8.59 -34.54 1 4 1 55 249.297 2

Activity (Go SEA)

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