UCSF

ZINC39251897

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 10 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -3.16 5.67 -27.29 1 2 1 20 133.174 0
Mid Mid (pH 6-8) 1.22 5.22 -15.09 0 2 0 18 132.166 0

Activity (Go SEA)

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