UCSF

ZINC49567285

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 19 No

Popular Name: (2S)-1-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan- (2S)-1-[[(1S,8R)-2,3,5,6,7,8-hex…

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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) 0.39 -2.82 -45.03 3 6 1 75 285.393 6 ↓
Hi High (pH 8-9.5) 0.39 -4.04 -4.96 2 6 0 71 284.385 6 ↓
Mid Mid (pH 6-8) 0.39 -1.53 -35.28 3 6 1 72 285.393 6 ↓

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

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