UCSF

ZINC37788346

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 2.77 9.71 -105.54 3 4 2 47 298.471 6
Hi High (pH 8-9.5) 2.77 8.72 -38.07 2 4 1 43 297.463 6

Activity (Go SEA)

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