UCSF

ZINC38198474

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2010 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) 5.29 11.36 -45.93 2 4 1 55 398.91 3
Hi High (pH 8-9.5) 5.29 11.93 -31.37 1 4 0 58 397.902 3

Activity (Go SEA)

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