UCSF

ZINC24363717

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2009 23 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) 3.78 8.19 -45.31 2 5 1 52 317.409 3
Hi High (pH 8-9.5) 3.78 5.98 -11.6 1 5 0 51 316.401 3

Activity (Go SEA)

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