UCSF

ZINC36883481

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 3.27 7.25 -106.07 4 2 2 32 228.424 8
Hi High (pH 8-9.5) 3.27 6.87 -32.54 3 2 1 30 227.416 8
Hi High (pH 8-9.5) 3.27 5.34 -41.22 3 2 1 31 227.416 8

Activity (Go SEA)

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