UCSF

ZINC31958834

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 24 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) 2.99 7.48 -62.58 4 5 1 74 323.42 5
Mid Mid (pH 6-8) 2.99 7.09 -17.46 3 5 0 72 322.412 5
Mid Mid (pH 6-8) 2.99 7.9 -92.55 5 5 2 75 324.428 5

Activity (Go SEA)

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