UCSF

ZINC41476263

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 18 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) 0.43 7.57 -45.14 1 6 1 51 247.326 1
Mid Mid (pH 6-8) 0.43 5.2 -7.31 0 6 0 50 246.318 1

Activity (Go SEA)

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