UCSF

ZINC39813139

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2010 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) -2.05 1.26 -68.29 5 7 0 126 273.333 7
Hi High (pH 8-9.5) -2.05 0.51 -39.77 4 7 -1 124 272.325 7

Activity (Go SEA)

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