UCSF

ZINC65314815

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 33 Yes

Popular Name: 1-[2-(4-ethylpiperazin-1-yl)-2-oxo-ethyl]-3,3-dimethyl-5-[[(3R)-3-methyl-1-piperidyl]sulfonyl]indoli 1-[2-(4-ethylpiperazin-1-yl)-2-o…

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) 2.38 9.78 -56.07 1 8 1 82 477.651 5 ↓
Mid Mid (pH 6-8) 2.38 7.56 -16.83 0 8 0 81 476.643 5 ↓

Activity (Go SEA)

Rings

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

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