UCSF

ZINC55118730

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 26 Yes

Popular Name: 3-[[(5R)-9-(m-tolylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenol 3-[[(5R)-9-(m-tolylmethyl)-2,9-d…

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) 3.70 9.16 -39.47 2 3 1 28 351.514 4 ↓
Hi High (pH 8-9.5) 3.70 9.49 -41.45 2 3 1 28 351.514 4 ↓
Hi High (pH 8-9.5) 3.70 7.04 -4.52 1 3 0 27 350.506 4 ↓

Activity (Go SEA)

Rings

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