UCSF

ZINC39439600

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2010 13 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) -0.54 0.99 -37.43 3 5 1 72 187.219 4
Hi High (pH 8-9.5) -0.36 -1.19 -33.59 2 5 0 78 186.211 4

Activity (Go SEA)

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