UCSF

ZINC41651698

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.14 10.8 -11.32 0 6 0 55 470.569 6
Lo Low (pH 4.5-6) 5.14 13.67 -48.41 1 6 1 56 471.577 6
Lo Low (pH 4.5-6) 5.14 14.43 -108.92 2 6 0 58 472.585 6

Activity (Go SEA)

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