UCSF

ZINC62977988

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 20 Yes

Popular Name: (2S)-2-(4-bromo-2-thienyl)-2-[(3S)-3-morpholinopyrrolidin-1-yl]ethanamine (2S)-2-(4-bromo-2-thienyl)-2-[(3…

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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) 1.36 1.19 -47.09 3 4 1 43 361.329 4 ↓
Hi High (pH 8-9.5) 1.36 1.5 -3.46 2 4 0 42 360.321 4 ↓
Mid Mid (pH 6-8) 1.36 3.39 -97.43 4 4 2 45 362.337 4 ↓

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

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