UCSF

ZINC31958841

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) 2.07 6.05 -62.87 4 5 1 74 295.366 4
Mid Mid (pH 6-8) 2.07 6.47 -92.34 5 5 2 75 296.374 4
Mid Mid (pH 6-8) 2.07 5.67 -17.7 3 5 0 72 294.358 4

Activity (Go SEA)

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