UCSF

ZINC39769824

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 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) 5.20 12.82 -122.78 2 2 2 9 397.376 3
Hi High (pH 8-9.5) 5.20 10.92 -37.5 1 2 1 8 396.368 3
Hi High (pH 8-9.5) 5.20 10.85 -3.24 0 2 0 6 395.36 3

Activity (Go SEA)

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