UCSF

ZINC66123801

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 40 No

Popular Name: (6aS,10S,10aS,11aR)-3-[[2-(tert-butylamino)acetyl]amino]-10-(dimethylamino)-1-fluoro-4,6,6a,9-tetrah (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) -0.46 0.06 -82.97 8 13 0 223 561.567 6 ↓
Hi High (pH 8-9.5) -0.46 -1.17 -58.53 7 13 -1 218 560.559 6 ↓
Hi High (pH 8-9.5) -0.46 -0.21 -102.74 6 13 -2 221 559.551 6 ↓
Hi High (pH 8-9.5) -0.46 1.04 -101.12 7 13 -1 226 560.559 6 ↓
Mid Mid (pH 6-8) -0.46 2.1 -90.55 9 13 1 224 562.575 6 ↓

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

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