UCSF

ZINC34836804

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 34 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) 4.21 12.39 -17.26 1 7 0 81 471.586 6
Lo Low (pH 4.5-6) 4.21 13.2 -29.44 2 7 1 83 472.594 6

Activity (Go SEA)

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