UCSF

ZINC44649122

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 19 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) 0.62 0.5 -50.86 4 6 1 92 290.34 6
Hi High (pH 8-9.5) 0.62 -0.67 -53.37 2 6 -1 89 288.324 6
Mid Mid (pH 6-8) 0.62 0.68 -73.59 3 6 0 94 289.332 6

Activity (Go SEA)

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