UCSF

ZINC40125691

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 24 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) 2.02 3.96 -60.29 1 6 -1 92 326.328 5
Lo Low (pH 4.5-6) 2.02 3.19 -16.58 2 6 0 89 327.336 5

Activity (Go SEA)

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