UCSF

ZINC41311489

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 24 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) 2.83 6 -5.62 1 5 0 53 337.508 6
Mid Mid (pH 6-8) 2.83 8.35 -43.87 2 5 1 54 338.516 6

Activity (Go SEA)

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