UCSF

ZINC07052452

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 23 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) 3.19 6.9 -43.28 0 5 -1 85 340.409 4
Mid Mid (pH 6-8) 4.11 7.13 -13.55 1 5 0 86 341.417 3

Activity (Go SEA)

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