UCSF

ZINC39342084

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 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) 0.17 0.36 -41.42 1 5 -1 97 163.112 1
Hi High (pH 8-9.5) 0.17 1.38 -117.05 0 5 -2 100 162.104 1

Activity (Go SEA)

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