UCSF

ZINC42910020

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 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) 2.87 6.34 -39.47 3 2 1 31 287.349 6
Hi High (pH 8-9.5) 2.87 5.07 -3.01 2 2 0 29 286.341 6
Lo Low (pH 4.5-6) 2.87 7.9 -118.66 4 2 2 32 288.357 6

Activity (Go SEA)

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