UCSF

ZINC41209511

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 14 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) 2.27 6.48 -31.5 1 2 1 8 199.362 5
Mid Mid (pH 6-8) 2.27 8.59 -104.24 2 2 2 9 200.37 5
Mid Mid (pH 6-8) 2.27 6.36 -30.74 1 2 1 8 199.362 5

Activity (Go SEA)

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