UCSF

ZINC32158309

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 22 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) 3.94 10.63 -36.06 2 2 1 16 295.45 6
Lo Low (pH 4.5-6) 3.94 11.97 -121.43 3 2 2 21 296.458 6

Activity (Go SEA)

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