UCSF

ZINC41366292

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 27 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) 3.71 7.25 -9.64 0 5 0 50 388.533 6
Mid Mid (pH 6-8) 3.71 9.48 -42.09 1 5 1 51 389.541 6

Activity (Go SEA)

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