UCSF

ZINC36748851

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 16 Yes

Download: MOL2 SDF SMILES Flexibase

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) -0.47 -4.54 -15.96 4 6 0 109 244.272 5
Hi High (pH 8-9.5) -0.47 -3.78 -52.56 3 6 -1 112 243.264 5

Activity (Go SEA)

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