UCSF

ZINC67948090

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 27 Yes

Popular Name: 3-[2-(2,5,7-trimethyl-1H-indol-3-yl)acetyl]-3,7,10-triazaspiro[5.5]undecan-11-one 3-[2-(2,5,7-trimethyl-1H-indol-3…

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) 1.85 4.6 -16.23 3 6 0 77 368.481 2 ↓
Mid Mid (pH 6-8) 1.85 5.76 -59.76 4 6 1 82 369.489 2 ↓

Activity (Go SEA)

Rings

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

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