UCSF

ZINC49752261

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 21 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) 2.17 10.22 -52.65 1 4 1 49 294.463 7
Mid Mid (pH 6-8) 2.17 7.97 -11.09 0 4 0 47 293.455 7

Activity (Go SEA)

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