UCSF

ZINC39325024

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 31 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) 3.90 9 -14.56 2 5 0 101 409.468 3
Lo Low (pH 4.5-6) 3.90 11.34 -64.36 3 5 1 102 410.476 3

Activity (Go SEA)

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