UCSF

ZINC36770165

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 16 No

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) -0.73 0.79 -8.62 1 6 0 82 225.248 3
Hi High (pH 8-9.5) -0.55 0.94 -40.07 0 6 -1 89 224.24 3

Activity (Go SEA)

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