UCSF

ZINC40110766

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 32 No

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) 1.82 4.45 -60.96 1 8 -1 118 455.512 8
Lo Low (pH 4.5-6) 1.82 3.68 -17.79 2 8 0 115 456.52 8

Activity (Go SEA)

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