UCSF

ZINC48615149

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 21 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) 2.66 10.11 -39.27 1 4 1 28 310.849 5
Mid Mid (pH 6-8) 2.66 7.95 -9.08 0 4 0 27 309.841 5

Activity (Go SEA)

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