UCSF

ZINC43973302

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 19 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) 3.59 6.31 -30.43 2 3 1 29 271.469 8
Hi High (pH 8-9.5) 3.59 5.54 -0.37 1 3 0 24 270.461 8
Hi High (pH 8-9.5) 3.59 6.61 -27 2 3 1 26 271.469 8

Activity (Go SEA)

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