UCSF

ZINC37870322

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 17 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) 0.21 -1.25 -41.76 5 5 1 89 235.263 3
Mid Mid (pH 6-8) 0.21 -2.51 -10.17 4 5 0 85 234.255 3

Activity (Go SEA)

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