UCSF

ZINC38549905

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 30 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) 0.13 -3.31 -32.69 4 12 0 167 417.378 6
Mid Mid (pH 6-8) -0.10 -5.78 -67.68 3 12 -1 173 416.37 6

Activity (Go SEA)

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