UCSF

ZINC32182325

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 3.87 8.14 -50.98 2 4 1 44 300.378 6
Hi High (pH 8-9.5) 3.87 6.72 -6.87 1 4 0 40 299.37 6

Activity (Go SEA)

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