UCSF

ZINC21831873

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 29 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) 5.24 13.24 -18.32 1 4 0 46 395.384 4
Lo Low (pH 4.5-6) 5.24 13.57 -28.24 2 4 1 48 396.392 4

Activity (Go SEA)

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