UCSF

ZINC35836827

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 32 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) 4.83 15.36 -10.9 1 7 0 65 434.588 3
Lo Low (pH 4.5-6) 4.83 15.62 -31.88 2 7 1 66 435.596 3
Lo Low (pH 4.5-6) 4.83 15.61 -33.39 2 7 1 66 435.596 3

Activity (Go SEA)

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