UCSF

ZINC41477596

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 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) 0.76 7.29 -48.73 1 5 1 46 230.295 1
Mid Mid (pH 6-8) 0.76 4.94 -10.49 0 5 0 45 229.287 1

Activity (Go SEA)

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