UCSF

ZINC41659092

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) 6.52 12.78 -9.56 0 4 0 43 457.545 5
Lo Low (pH 4.5-6) 6.52 15.63 -56.88 1 4 1 44 458.553 5

Activity (Go SEA)

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