UCSF

ZINC66123662

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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]-1-chloro-10-(dimethylamino)-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) 0.05 0.46 -82.03 8 13 0 223 578.022 6 ↓
Hi High (pH 8-9.5) 0.05 -0.76 -57.68 7 13 -1 218 577.014 6 ↓
Hi High (pH 8-9.5) 0.05 1.45 -100.67 7 13 -1 226 577.014 6 ↓
Hi High (pH 8-9.5) 0.05 0.21 -102.48 6 13 -2 221 576.006 6 ↓
Mid Mid (pH 6-8) 0.05 2.49 -89.66 9 13 1 224 579.03 6 ↓

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

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