UCSF

ZINC36125330

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 24 Yes

Popular Name: 3-[(2S,6S)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,6-dimethyl-piperazin-1-yl]-N,N-dimethyl-prop 3-[(2S,6S)-4-[(3,5-dimethyl-1H-p…

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) 0.86 3.79 -45.42 2 7 1 74 358.532 6 ↓
Mid Mid (pH 6-8) 0.86 5.86 -113.43 3 7 2 75 359.54 6 ↓
Mid Mid (pH 6-8) 0.86 3.4 -45.17 2 7 1 74 358.532 6 ↓

Activity (Go SEA)

Rings

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