UCSF

ZINC42739364

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 14 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) 2.32 4.92 -107.26 4 2 2 32 202.386 6
Hi High (pH 8-9.5) 2.32 3.6 -43.34 3 2 1 31 201.378 6
Hi High (pH 8-9.5) 2.32 4.54 -28.44 3 2 1 30 201.378 6

Activity (Go SEA)

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