UCSF

ZINC09707518

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 34 No

Popular Name: trimethyl-bis(o-tolylmethyl)BLAHdione trimethyl-bis(o-tolylmethyl)BLAH…

Find On: PubMed — Wikipedia — Google

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) 4.79 2.74 -11.78 0 8 0 77 456.55 4 ↓
Mid Mid (pH 6-8) 4.79 3.11 -35.27 1 8 1 78 457.558 4 ↓

Activity (Go SEA)

Rings

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