UCSF

ZINC41666773

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 Yes

Popular Name: isopropyl isopropyl

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.07 7.9 -15.17 0 8 0 81 458.555 9 ↓
Mid Mid (pH 6-8) 3.07 10.16 -50.15 1 8 1 83 459.563 9 ↓
Mid Mid (pH 6-8) 3.07 10.72 -52.29 1 8 1 83 459.563 9 ↓
Lo Low (pH 4.5-6) 3.07 13 -124.4 2 8 2 84 460.571 9 ↓

Activity (Go SEA)

Rings

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