UCSF

ZINC41192079

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 19 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) 3.40 8.2 -34.52 2 2 1 29 277.388 4
Mid Mid (pH 6-8) 3.40 7.27 -5.83 1 2 0 25 276.38 4

Activity (Go SEA)

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