UCSF

ZINC37801776

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 1.38 6.94 -41.94 2 4 1 50 274.388 6
Hi High (pH 8-9.5) 1.38 5.72 -7.65 1 4 0 45 273.38 6
Lo Low (pH 4.5-6) 1.38 7.4 -86.28 3 4 2 51 275.396 6

Activity (Go SEA)

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