UCSF

ZINC32175747

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 1.76 4.96 -50.68 3 4 1 57 297.806 4
Hi High (pH 8-9.5) 1.76 3.39 -11.78 2 4 0 53 296.798 4

Activity (Go SEA)

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