UCSF

ZINC37839177

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) -0.24 4.39 -21.78 1 5 0 66 214.265 5
Hi High (pH 8-9.5) -0.23 3.32 -58.51 1 5 -1 72 213.257 5

Activity (Go SEA)

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