UCSF

ZINC43897254

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 18 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) 2.44 6.88 -87.03 3 3 2 24 255.45 3
Hi High (pH 8-9.5) 2.44 6.15 -112.54 3 3 2 24 255.45 3
Hi High (pH 8-9.5) 2.44 5.87 -30.9 2 3 1 20 254.442 3
Lo Low (pH 4.5-6) 2.44 8.03 -92.79 3 3 2 21 255.45 3

Activity (Go SEA)

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