UCSF

ZINC08701831

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.74 6.78 -55.27 1 6 -1 80 316.333 7
Lo Low (pH 4.5-6) 2.74 4.79 -12.75 2 6 0 77 317.341 7

Activity (Go SEA)

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