UCSF

ZINC57681161

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 20 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) -3.12 2.27 -63.8 1 8 0 124 290.308 4
Lo Low (pH 4.5-6) -3.12 2.56 -44.64 2 8 1 122 291.316 4

Activity (Go SEA)

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