UCSF

ZINC37826809

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) -0.31 3.54 -91.66 4 5 2 62 247.383 9
Hi High (pH 8-9.5) -0.31 3.23 -36.89 3 5 1 60 246.375 9

Activity (Go SEA)

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