UCSF

ZINC35638769

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 30 Yes

Popular Name: (3R,5R,7S)-7-methyl-4-(2-methylbenzoyl)-N-(4-pyridylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamid (3R,5R,7S)-7-methyl-4-(2-methylb…

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 6.89 -11.61 1 6 0 72 407.514 4 ↓
Lo Low (pH 4.5-6) 2.32 7.35 -50.25 2 6 1 73 408.522 4 ↓

Activity (Go SEA)

Rings

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

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