UCSF

ZINC13574453

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 20 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) -0.98 -3.15 -47.46 4 10 -1 159 280.22 2
Lo Low (pH 4.5-6) -0.98 -2.89 -59.26 5 10 0 161 281.228 2
Lo Low (pH 4.5-6) -0.98 -7.27 -59.77 5 10 0 161 281.228 2

Activity (Go SEA)

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