UCSF

ZINC36125317

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 6-[(3S,5S)-4-[3-(dimethylamino)propyl]-3,5-dimethyl-piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one 6-[(3S,5S)-4-[3-(dimethylamino)p…

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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 3.34 -48.82 2 8 1 91 397.521 6 ↓
Mid Mid (pH 6-8) 1.78 2.8 -127.08 2 8 1 95 397.521 6 ↓
Mid Mid (pH 6-8) 1.78 0.34 -69.12 1 8 0 94 396.513 6 ↓
Lo Low (pH 4.5-6) 1.32 5.43 -119.28 3 8 2 92 398.529 6 ↓

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

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