UCSF

ZINC06505937

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2006 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.66 8.34 -16.16 0 5 0 60 324.34 2
Lo Low (pH 4.5-6) 2.66 8.8 -46.26 1 5 1 61 325.348 2

Activity (Go SEA)

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