UCSF

ZINC60866417

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2011 23 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) 0.61 4.79 -48.38 2 6 1 71 338.453 5
Mid Mid (pH 6-8) 0.61 2.56 -11.81 1 6 0 70 337.445 5

Activity (Go SEA)

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