UCSF

ZINC34943191

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 35 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) 4.45 13.73 -11.03 0 6 0 57 473.617 9
Lo Low (pH 4.5-6) 4.45 15.42 -49.44 1 6 1 58 474.625 9

Activity (Go SEA)

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