UCSF

ZINC23067808

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 21 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) 0.31 4.99 -30.77 3 4 1 43 292.447 5
Hi High (pH 8-9.5) 0.31 5.72 -35.49 3 4 1 43 292.447 5
Lo Low (pH 4.5-6) 0.31 7.47 -99.45 4 4 2 44 293.455 5

Activity (Go SEA)

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