UCSF

ZINC52538451

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 1.94 7.5 -45.99 1 3 1 25 271.743 2
Mid Mid (pH 6-8) 1.94 5.29 -9.39 0 3 0 24 270.735 2

Activity (Go SEA)

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