UCSF

ZINC00099212

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 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) 2.75 -4.02 -12.49 3 5 0 80 334.404 2
Lo Low (pH 4.5-6) 2.75 -3.98 -39.72 4 5 1 82 335.412 2
Lo Low (pH 4.5-6) 2.75 -3.92 -34.35 4 5 1 82 335.412 2
Lo Low (pH 4.5-6) 2.75 -3.89 -75.31 5 5 2 83 336.42 2

Activity (Go SEA)

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