UCSF

ZINC05882354

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 25 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) 5.75 10.04 -8.26 1 3 0 38 413.395 6
Lo Low (pH 4.5-6) 5.75 10.61 -29.7 2 3 1 39 414.403 6

Activity (Go SEA)

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