UCSF

ZINC36126494

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 26 Yes

Popular Name: 6-[(3R,5R)-4-(2-dimethylaminoethyl)-3,5-dimethyl-piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one 6-[(3R,5R)-4-(2-dimethylaminoeth…

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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) 1.05 2.6 -48.27 2 8 1 91 383.494 5 ↓
Hi High (pH 8-9.5) 1.50 -2.49 -46.52 0 8 -1 93 381.478 5 ↓
Hi High (pH 8-9.5) 1.50 -0.03 -69.07 1 8 0 94 382.486 5 ↓

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

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