UCSF

ZINC29466257

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 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) 0.80 6.36 -41.37 1 5 1 41 261.349 3
Hi High (pH 8-9.5) 0.80 3.84 -7.83 0 5 0 40 260.341 3
Lo Low (pH 4.5-6) 0.80 6.74 -90.75 2 5 2 42 262.357 3

Activity (Go SEA)

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