UCSF

ZINC22628499

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 23 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) 0.76 1.6 -25.29 3 8 0 117 353.429 6
Hi High (pH 8-9.5) 1.21 0.48 -60.89 2 8 -1 120 352.421 6

Activity (Go SEA)

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