UCSF

ZINC69742685

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 24 Yes

Popular Name: (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1 (2S)-1-(3,4-dihydro-2H-quinolin-…

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) 1.36 9.11 -34.95 1 5 1 43 325.436 2 ↓
Hi High (pH 8-9.5) 1.36 8.65 -19.25 0 5 0 41 324.428 2 ↓
Lo Low (pH 4.5-6) 1.36 11.09 -40.49 1 5 1 43 325.436 2 ↓

Activity (Go SEA)

Rings

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

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