UCSF

ZINC32130860

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 21 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) -0.01 3.92 -65.75 3 5 1 70 286.355 6
Lo Low (pH 4.5-6) -0.01 4.37 -116.02 4 5 2 71 287.363 6

Activity (Go SEA)

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