UCSF

ZINC62963708

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 Yes

Popular Name: (3S)-1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[3-(aminomethyl)-6,7-dihy…

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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) 1.30 7.2 -177.6 5 4 3 49 263.409 3 ↓
Hi High (pH 8-9.5) 1.30 4.38 -22.17 3 4 1 47 261.393 3 ↓
Hi High (pH 8-9.5) 1.30 4.4 -49.23 3 4 1 47 261.393 3 ↓
Mid Mid (pH 6-8) 1.30 4.81 -98.49 4 4 2 48 262.401 3 ↓
Mid Mid (pH 6-8) 1.30 6.78 -101.78 4 4 2 48 262.401 3 ↓

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

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