UCSF

ZINC04591963

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2005 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) 5.26 12.44 -11.66 1 4 0 45 407.583 4
Lo Low (pH 4.5-6) 5.26 12.79 -32.1 2 4 1 46 408.591 4

Activity (Go SEA)

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