UCSF

ZINC45659446

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 2.25 7.27 -37.2 2 4 1 43 277.388 6
Hi High (pH 8-9.5) 2.25 4.88 -5.91 1 4 0 42 276.38 6
Hi High (pH 8-9.5) 2.25 6.06 -40.07 2 4 1 46 277.388 6
Lo Low (pH 4.5-6) 2.25 8.47 -113.52 3 4 2 47 278.396 6

Activity (Go SEA)

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