UCSF

ZINC41188907

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 18 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) 2.90 7.23 -29.76 2 2 1 29 277.438 3
Mid Mid (pH 6-8) 2.90 5.78 -5.74 1 2 0 25 276.43 3

Activity (Go SEA)

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