UCSF

ZINC34928675

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 17 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) -0.85 5.52 -29.06 3 5 0 85 249.295 2
Mid Mid (pH 6-8) -0.85 5.53 -33.85 3 5 0 85 249.295 2

Activity (Go SEA)

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