UCSF

ZINC53033006

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2010 19 Yes

Popular Name: N-[[(3R)-1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]pyrrolidin-3-yl]methyl]-2-methyl-propan N-[[(3R)-1-[(1R,8R)-2,3,5,6,7,8-…

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Download: MOL2 SDF SMILES Flexibase

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) 2.36 4.42 -36.19 2 3 1 23 266.453 4 ↓
Mid Mid (pH 6-8) 2.36 6.97 -78.7 3 3 2 24 267.461 4 ↓
Mid Mid (pH 6-8) 2.36 6.21 -101.56 3 3 2 24 267.461 4 ↓
Lo Low (pH 4.5-6) 2.36 8.78 -180.46 4 3 3 25 268.469 4 ↓

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Rings

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

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