UCSF

ZINC62980319

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 17 Yes

Popular Name: 4-[(3S)-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidin-3-yl]morpholine 4-[(3S)-1-[[(3S)-pyrrolidin-3-yl…

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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) 0.62 0.65 -37.64 2 4 1 32 240.371 3 ↓
Mid Mid (pH 6-8) 0.62 2.86 -83.77 3 4 2 34 241.379 3 ↓
Mid Mid (pH 6-8) 0.62 3.12 -105.53 3 4 2 34 241.379 3 ↓
Lo Low (pH 4.5-6) 0.62 5.33 -192.58 4 4 3 35 242.387 3 ↓

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