UCSF

ZINC04189739

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 27 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) 2.84 0.5 -12.48 1 5 0 60 363.392 5
Lo Low (pH 4.5-6) 2.84 0.62 -43.37 2 5 1 61 364.4 5

Activity (Go SEA)

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