UCSF

ZINC20126898

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 18 Yes

Popular Name: (4S)-N-(2-pyrrolidin-1-ylethyl)thiochroman-4-amine (4S)-N-(2-pyrrolidin-1-ylethyl)t…

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Annotations

None

Vendors

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) 1.73 6.46 -43.57 2 2 1 20 263.43 4 ↓
Hi High (pH 8-9.5) 1.73 5.51 -3.45 1 2 0 15 262.422 4 ↓
Mid Mid (pH 6-8) 1.73 9.06 -126.05 3 2 2 21 264.438 4 ↓
Mid Mid (pH 6-8) 1.73 7.69 -39.38 2 2 1 16 263.43 4 ↓

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Rings

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

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