UCSF

ZINC45700067

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 16 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) 1.82 6.3 -32.62 1 3 1 25 227.372 6
Hi High (pH 8-9.5) 1.82 5.84 -31.87 1 3 1 25 227.372 6
Hi High (pH 8-9.5) 1.82 3.83 -4.44 0 3 0 24 226.364 6
Lo Low (pH 4.5-6) 1.82 8.31 -100.37 2 3 2 26 228.38 6

Activity (Go SEA)

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