UCSF

ZINC40949600

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 36 No

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) 1.67 2 -66.12 5 9 1 126 483.504 2
Hi High (pH 8-9.5) 1.67 1.62 -15.34 4 9 0 125 482.496 2

Activity (Go SEA)

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