UCSF

ZINC39051831

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 10 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) -0.77 1.34 -47.11 0 4 -1 72 135.102 0
Lo Low (pH 4.5-6) -0.77 0.56 -26.3 1 4 0 69 136.11 0

Activity (Go SEA)

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