UCSF

ZINC17749534

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2008 24 Yes

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) 3.21 6.92 -10.58 2 5 0 71 362.817 5
Lo Low (pH 4.5-6) 3.21 7.32 -44.91 3 5 1 72 363.825 5

Activity (Go SEA)

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