UCSF

ZINC05202433

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 22 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) 5.09 11.27 -8.86 0 2 0 20 313.466 1
Lo Low (pH 4.5-6) 5.09 11.48 -31.74 1 2 1 22 314.474 1

Activity (Go SEA)

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