UCSF

ZINC37998285

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 18 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) 1.53 4.79 -41.73 2 4 1 44 252.334 6
Hi High (pH 8-9.5) 1.53 3.43 -5.67 1 4 0 40 251.326 6

Activity (Go SEA)

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