UCSF

ZINC20441601

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 20 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) 2.21 3.67 -8.71 1 4 0 42 276.38 4
Mid Mid (pH 6-8) 2.21 5.94 -43.23 2 4 1 43 277.388 4

Activity (Go SEA)

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