UCSF

ZINC41209335

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 22 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) -0.75 0.35 -13.09 1 8 0 90 329.426 4
Mid Mid (pH 6-8) -0.75 2.7 -54.25 2 8 1 91 330.434 4

Activity (Go SEA)

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