UCSF

ZINC06424517

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 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) 2.60 2.41 -15.8 2 6 0 89 288.255 2
Hi High (pH 8-9.5) 2.60 3.19 -48.39 1 6 -1 92 287.247 2
Hi High (pH 8-9.5) 2.60 3.47 -64.53 1 6 -1 92 287.247 2

Activity (Go SEA)

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