UCSF

ZINC35761622

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 28 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) 2.17 7.25 -11.54 1 6 0 66 386.54 7
Lo Low (pH 4.5-6) 2.17 9.22 -47.38 2 6 1 67 387.548 7
Lo Low (pH 4.5-6) 2.17 9.68 -97.92 3 6 2 68 388.556 7

Activity (Go SEA)

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