UCSF

ZINC31946726

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 0.25 4.85 -60.85 3 6 1 75 338.453 4
Mid Mid (pH 6-8) 0.25 3.47 -14.33 2 6 0 71 337.445 4

Activity (Go SEA)

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