UCSF

ZINC05083612

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 21 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) 1.96 7.41 -26.85 1 5 0 56 303.387 5
Mid Mid (pH 6-8) 1.96 7.86 -32.49 2 5 1 57 304.395 5

Activity (Go SEA)

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