UCSF

ZINC41681638

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 2.99 7.64 -34.09 2 3 1 20 276.448 7
Hi High (pH 8-9.5) 2.99 5.18 -3.05 1 3 0 19 275.44 7
Hi High (pH 8-9.5) 2.99 7.27 -33.07 2 3 1 20 276.448 7
Lo Low (pH 4.5-6) 2.99 9.74 -110.51 3 3 2 21 277.456 7

Activity (Go SEA)

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