UCSF

ZINC41233989

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 16 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) 1.60 4.57 -41.95 2 2 1 20 221.299 1
Lo Low (pH 4.5-6) 1.60 6.73 -122.78 3 2 2 21 222.307 1

Activity (Go SEA)

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