UCSF

ZINC41667639

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 Yes

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) 5.87 10.8 -14.01 0 5 0 52 461.945 5
Lo Low (pH 4.5-6) 5.87 13.65 -60.79 1 5 1 53 462.953 5

Activity (Go SEA)

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