UCSF

ZINC05083614

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 22 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) 3.73 9.41 -15.54 1 4 0 47 315.442 5
Mid Mid (pH 6-8) 3.73 9.85 -35.25 2 4 1 48 316.45 5

Activity (Go SEA)

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