UCSF

ZINC41588076

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 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) 4.80 9.87 -10.43 0 5 0 56 401.462 4
Lo Low (pH 4.5-6) 4.80 12.74 -49.37 1 5 1 57 402.47 4

Activity (Go SEA)

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