UCSF

ZINC05180296

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 20 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) 3.57 8.83 -7.46 1 5 0 68 291.376 6
Hi High (pH 8-9.5) 3.57 8.47 -43.53 0 5 -1 66 290.368 6

Activity (Go SEA)

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