UCSF

ZINC52050191

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2010 15 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) 2.64 6.79 -32.17 1 2 1 8 213.389 5
Mid Mid (pH 6-8) 2.64 7.03 -29.96 1 2 1 8 213.389 5
Mid Mid (pH 6-8) 2.64 8.89 -94.6 2 2 2 9 214.397 5

Activity (Go SEA)

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