UCSF

ZINC37040878

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -0.46 -3.31 -51.65 6 7 1 126 288.349 5
Hi High (pH 8-9.5) -0.46 -3.64 -17.21 5 7 0 125 287.341 5

Activity (Go SEA)

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