UCSF

ZINC67490318

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 23 No

Popular Name: 3-methoxy-2-[(4S)-5-(3-methylsulfanylpropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol 3-methoxy-2-[(4S)-5-(3-methylsul…

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) 2.77 7.47 -33.24 3 5 1 63 334.465 6 ↓
Hi High (pH 8-9.5) 2.77 6.26 -11.79 2 5 0 61 333.457 6 ↓
Lo Low (pH 4.5-6) 2.77 6.73 -31.47 3 5 1 63 334.465 6 ↓

Activity (Go SEA)

Rings

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

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