UCSF

ZINC32063245

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.79 8.72 -22.61 1 4 0 46 297.333 5
Lo Low (pH 4.5-6) 2.79 9.16 -36.69 2 4 1 48 298.341 5

Activity (Go SEA)

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