UCSF

ZINC04212136

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 33 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) 4.28 9.86 -17.79 1 7 0 78 462.937 8
Lo Low (pH 4.5-6) 4.28 10.14 -47.02 2 7 1 80 463.945 8

Activity (Go SEA)

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