UCSF

ZINC32146905

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.93 6.69 -10.17 1 4 0 43 290.388 3
Lo Low (pH 4.5-6) 2.93 7.07 -28.44 2 4 1 45 291.396 3

Activity (Go SEA)

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