UCSF

ZINC36154557

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 22 Yes

Popular Name: isopropyl isopropyl

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) 1.96 6.76 -57.31 3 6 1 89 322.41 6 ↓
Hi High (pH 8-9.5) 1.96 5.46 -11.65 2 6 0 84 321.402 6 ↓
Mid Mid (pH 6-8) 2.42 4.35 -44.02 2 6 0 92 321.402 6 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.