UCSF

ZINC63738900

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 35 No

Popular Name: (2S)-N-[2-[(3S)-2-ethyl-3,5-dimethyl-1,3-dihydropyrazol-4-yl]ethyl]-2-[1-[(2S)-6-methoxy-2H-indole-2 (2S)-N-[2-[(3S)-2-ethyl-3,5-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) 3.35 7.3 -36.41 3 8 1 88 482.649 8 ↓
Lo Low (pH 4.5-6) 3.35 8.8 -76.12 4 8 2 89 483.657 8 ↓

Activity (Go SEA)

Rings

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

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