UCSF

ZINC32159658

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 2.73 6.33 -4.26 1 3 0 28 295.43 6
Mid Mid (pH 6-8) 2.73 10.27 -34.78 2 3 1 29 296.438 6
Lo Low (pH 4.5-6) 2.73 10.22 -85.5 3 3 2 31 297.446 6
Lo Low (pH 4.5-6) 2.73 8.06 -48.44 2 3 1 33 296.438 6

Activity (Go SEA)

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