UCSF

ZINC04880263

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 26 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) 4.97 10.34 -13.62 2 4 0 54 363.486 7
Lo Low (pH 4.5-6) 4.97 10.68 -32.84 3 4 1 55 364.494 7

Activity (Go SEA)

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