UCSF

ZINC35742874

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 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) 4.24 4.39 -14.12 2 9 0 100 468.554 10
Lo Low (pH 4.5-6) 4.24 5.5 -27.51 3 9 1 101 469.562 10

Activity (Go SEA)

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