UCSF

ZINC36273225

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 26 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) 2.75 6.57 -40.83 4 6 1 77 355.462 8
Hi High (pH 8-9.5) 2.75 5.22 -12.27 3 6 0 76 354.454 8
Mid Mid (pH 6-8) 2.75 7.05 -89.37 5 6 2 78 356.47 8

Activity (Go SEA)

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