UCSF

ZINC41310781

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 25 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) 0.49 5.07 -53.46 3 6 1 66 347.483 8
Mid Mid (pH 6-8) 0.49 5.17 -55.54 3 6 1 66 347.483 8
Mid Mid (pH 6-8) 0.49 2.82 -17.96 2 6 0 65 346.475 8

Activity (Go SEA)

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