UCSF

ZINC63097978

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2011 31 Yes

Popular Name: (2S)-2-acetamido-N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(2H-indol-3-yl)propanamide (2S)-2-acetamido-N-[(2R)-2-(dime…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.89 10.05 -96.82 4 6 2 77 422.573 9 ↓
Mid Mid (pH 6-8) 2.89 8.01 -48.87 3 6 1 75 421.565 9 ↓

Activity (Go SEA)

Rings

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

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