UCSF

ZINC53033030

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2010 18 Yes

Popular Name: N-[[(3S)-1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]pyrrolidin-3-yl]methyl]propan-2-amine N-[[(3S)-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) 1.84 3.96 -37.43 2 3 1 23 252.426 4 ↓
Mid Mid (pH 6-8) 1.84 6.53 -79.35 3 3 2 24 253.434 4 ↓
Mid Mid (pH 6-8) 1.84 5.76 -103.14 3 3 2 24 253.434 4 ↓
Lo Low (pH 4.5-6) 1.84 8.33 -181.23 4 3 3 25 254.442 4 ↓

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

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