UCSF

ZINC13540944

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 18 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) -0.90 -2.24 -13.37 4 8 0 119 251.246 2
Lo Low (pH 4.5-6) -0.90 -1.98 -33.29 5 8 1 121 252.254 2
Lo Low (pH 4.5-6) -0.90 -6.35 -34.25 5 8 1 121 252.254 2

Activity (Go SEA)

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