UCSF

ZINC41665678

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) 3.54 8.4 -17.02 0 7 0 74 444.487 5
Lo Low (pH 4.5-6) 3.54 11.24 -52.95 1 7 1 75 445.495 5
Lo Low (pH 4.5-6) 3.54 8.87 -48.49 1 7 1 75 445.495 5

Activity (Go SEA)

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