UCSF

ZINC49546180

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 29 Yes

Popular Name: (4S)-1-tert-butyl-4-[4-methoxy-3-(morpholinomethyl)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-o (4S)-1-tert-butyl-4-[4-methoxy-3…

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) 2.32 3.75 -10.36 1 7 0 72 398.507 5 ↓
Ref Reference (pH 7) 2.13 6.23 -11.06 1 7 0 69 398.507 5 ↓
Lo Low (pH 4.5-6) 2.32 6.14 -42.02 2 7 1 73 399.515 5 ↓
Lo Low (pH 4.5-6) 2.13 8.63 -42.94 2 7 1 70 399.515 5 ↓

Activity (Go SEA)

Rings

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

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