UCSF

ZINC36829227

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 19 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) -0.87 0.61 -21.69 1 7 0 91 287.341 5
Hi High (pH 8-9.5) -0.41 -1.31 -51.08 0 7 -1 94 286.333 5

Activity (Go SEA)

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