UCSF

ZINC35498626

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 29 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) 3.39 7.82 -5.82 1 5 0 41 403.542 11
Mid Mid (pH 6-8) 3.39 8.49 -43.86 2 5 1 42 404.55 11
Lo Low (pH 4.5-6) 3.39 10.09 -46.07 2 5 1 42 404.55 11

Activity (Go SEA)

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