UCSF

ZINC40148059

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 18 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) 5.06 8.99 -8.42 1 3 0 41 259.378 3
Lo Low (pH 4.5-6) 4.14 9.15 -24.45 2 3 1 39 260.386 4

Activity (Go SEA)

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