UCSF

ZINC71523758

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 27 Yes

Popular Name: (2S)-2-(dimethylamino)-1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-p (2S)-2-(dimethylamino)-1-[4-(dim…

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) 1.70 11.26 -101.55 2 6 2 55 369.513 5 ↓
Hi High (pH 8-9.5) 1.70 8.98 -10.47 0 6 0 53 367.497 5 ↓
Mid Mid (pH 6-8) 1.70 9.02 -41.69 1 6 1 54 368.505 5 ↓
Mid Mid (pH 6-8) 1.70 10.88 -43.09 1 6 1 54 368.505 5 ↓

Activity (Go SEA)

Rings

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

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