UCSF

ZINC45192477

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 23 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) 4.27 8.65 -82.89 3 4 2 40 331.847 5
Hi High (pH 8-9.5) 4.27 6.16 -25.77 2 4 1 39 330.839 5
Hi High (pH 8-9.5) 4.27 8.24 -42.76 2 4 1 39 330.839 5

Activity (Go SEA)

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