UCSF

ZINC39898130

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 28 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) 4.17 6.78 -13.54 2 6 0 78 462.731 5
Mid Mid (pH 6-8) 4.17 7.55 -48.71 1 6 -1 81 461.723 5

Activity (Go SEA)

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