UCSF

ZINC45659444

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 7.29 -34.03 2 4 1 43 277.388 6
Hi High (pH 8-9.5) 2.25 4.88 -5.37 1 4 0 42 276.38 6
Hi High (pH 8-9.5) 2.25 6.07 -39.97 2 4 1 46 277.388 6
Lo Low (pH 4.5-6) 2.25 8.48 -113.11 3 4 2 47 278.396 6

Activity (Go SEA)

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