UCSF

ZINC00412148

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 21 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) 3.70 8.32 -7.88 1 4 0 42 300.793 3
Lo Low (pH 4.5-6) 3.70 8.47 -38.4 2 4 1 47 301.801 3
Lo Low (pH 4.5-6) 3.70 8.7 -26.75 2 4 1 43 301.801 3

Activity (Go SEA)

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