UCSF

ZINC39332307

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 10 No

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) 2.21 3.31 -3.29 3 2 0 38 156.616 1
Lo Low (pH 4.5-6) 2.21 3.12 -44.42 4 2 1 40 157.624 1

Activity (Go SEA)

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