UCSF

ZINC36125318

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 27 Yes

Popular Name: 6-[(3R,5R)-4-[3-(dimethylamino)propyl]-3,5-dimethyl-piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one 6-[(3R,5R)-4-[3-(dimethylamino)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) 1.32 3.4 -46.97 2 8 1 91 397.521 6 ↓
Mid Mid (pH 6-8) 1.78 2.78 -124.25 2 8 1 95 397.521 6 ↓
Mid Mid (pH 6-8) 1.78 0.31 -69.38 1 8 0 94 396.513 6 ↓
Lo Low (pH 4.5-6) 1.32 5.4 -117.24 3 8 2 92 398.529 6 ↓

Activity (Go SEA)

Rings

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

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