UCSF

ZINC06690172

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 25 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) 1.77 9.91 -9.86 0 6 0 61 339.395 8
Mid Mid (pH 6-8) 1.77 10.79 -34.71 1 6 1 62 340.403 8

Activity (Go SEA)

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