UCSF

ZINC45658828

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 Yes

Popular Name: (3S)-3-(aminomethyl)-N-ethyl-1-isopropyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrolidin-3-amine (3S)-3-(aminomethyl)-N-ethyl-1-i…

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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) 0.79 3.56 -29.13 3 4 1 43 270.441 6 ↓
Hi High (pH 8-9.5) 0.79 1.36 -41.44 3 4 1 43 270.441 6 ↓
Mid Mid (pH 6-8) 0.79 5.35 -96.41 4 4 2 44 271.449 6 ↓
Mid Mid (pH 6-8) 0.79 2.92 -26.9 3 4 1 43 270.441 6 ↓
Mid Mid (pH 6-8) 0.79 3.93 -103.32 4 4 2 45 271.449 6 ↓
Mid Mid (pH 6-8) 0.79 0.6 -1.7 2 4 0 42 269.433 6 ↓

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