UCSF

ZINC00469884

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 3.87 8.7 -9.23 2 3 0 41 266.344 3
Lo Low (pH 4.5-6) 3.50 6.47 -5.45 2 3 0 45 266.344 4
Lo Low (pH 4.5-6) 3.50 7.18 -28.79 3 3 1 46 267.352 4
Lo Low (pH 4.5-6) 3.50 7.65 -30.69 3 3 1 46 267.352 4

Activity (Go SEA)

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