UCSF

ZINC38827628

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 17 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) 2.30 7.49 -118.23 4 2 2 32 234.387 3
Hi High (pH 8-9.5) 2.30 7.76 -28.34 3 2 1 30 233.379 3
Hi High (pH 8-9.5) 2.30 5.75 -46.61 3 2 1 31 233.379 3

Activity (Go SEA)

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