UCSF

ZINC37791966

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 0.41 5.07 -73.57 2 6 0 77 285.388 9
Hi High (pH 8-9.5) 0.41 2.69 -48.61 1 6 -1 76 284.38 9
Mid Mid (pH 6-8) 0.41 4.96 -73.95 2 6 0 77 285.388 9

Activity (Go SEA)

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