UCSF

ZINC01969909

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.29 12.64 -13.4 1 8 0 88 386.452 9
Hi High (pH 8-9.5) 3.47 12.41 -38.29 0 8 -1 89 385.444 9

Activity (Go SEA)

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