UCSF

ZINC67966526

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 28 Yes

Popular Name: (5R)-5-(2-methyl-4-oxo-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-7-yl)-1-propyl-4,5,6,7-tetrahydro (5R)-5-(2-methyl-4-oxo-5,6,8,9-t…

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) 1.59 9.01 -83.94 2 8 0 108 385.468 4 ↓
Hi High (pH 8-9.5) 1.59 6.98 -72.03 1 8 -1 107 384.46 4 ↓
Mid Mid (pH 6-8) 2.05 6.88 -118.84 1 8 -1 111 384.46 4 ↓

Activity (Go SEA)

Rings

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

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