UCSF

ZINC36273154

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 24 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) 4.26 10.46 -40.34 3 4 1 48 343.882 5
Mid Mid (pH 6-8) 4.26 8.03 -8.09 2 4 0 47 342.874 5
Lo Low (pH 4.5-6) 4.26 10.8 -88.82 4 4 2 49 344.89 5

Activity (Go SEA)

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