UCSF

ZINC37998339

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 2.49 4.46 -39.73 2 4 1 42 234.323 6
Hi High (pH 8-9.5) 2.49 2.33 -7.43 1 4 0 41 233.315 6

Activity (Go SEA)

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