UCSF

ZINC14960245

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 37 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) 4.56 10.53 -12.17 3 8 0 108 493.567 7
Lo Low (pH 4.5-6) 4.56 10.78 -40.36 4 8 1 110 494.575 7
Lo Low (pH 4.5-6) 4.56 6.37 -32.92 4 8 1 110 494.575 7

Activity (Go SEA)

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