UCSF

ZINC66123803

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 42 No

Popular Name: (6aS,10S,10aS,11aR)-3-[[2-(tert-butylamino)acetyl]amino]-1,10-bis(dimethylamino)-4,6,6a,9-tetrahydro (6aS,10S,10aS,11aR)-3-[[2-(tert-…

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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) -0.52 1.99 -80.99 8 14 0 226 586.646 7 ↓
Hi High (pH 8-9.5) -0.52 1.76 -108.18 6 14 -2 224 584.63 7 ↓
Hi High (pH 8-9.5) -0.52 2.98 -104.37 7 14 -1 229 585.638 7 ↓
Hi High (pH 8-9.5) -0.52 0.79 -58.37 7 14 -1 221 585.638 7 ↓
Mid Mid (pH 6-8) -0.52 3.91 -88.37 9 14 1 227 587.654 7 ↓

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

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