UCSF

ZINC32222882

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 14 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) 2.81 6.69 -6.92 1 2 0 29 186.258 0
Lo Low (pH 4.5-6) 2.81 7.12 -28.12 2 2 1 30 187.266 0

Activity (Go SEA)

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