UCSF

ZINC16953432

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) -1.35 -5.15 -14.23 5 8 0 130 251.246 2
Lo Low (pH 4.5-6) -1.35 -4.87 -41.83 6 8 1 131 252.254 2
Lo Low (pH 4.5-6) -1.35 -8.94 -40.55 6 8 1 131 252.254 2

Activity (Go SEA)

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