UCSF

ZINC41663772

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.53 7.08 -22.76 0 8 0 107 499.928 2
Lo Low (pH 4.5-6) 3.53 10.15 -67.02 1 8 1 108 500.936 2

Activity (Go SEA)

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