UCSF

ZINC53938003

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 20 Yes

Popular Name: (1S)-1-(3-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-amine (1S)-1-(3-bromophenyl)-3-(6,7-di…

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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) 1.78 6.96 -51.53 3 2 1 31 352.321 4 ↓
Hi High (pH 8-9.5) 1.78 6.62 -4.97 2 2 0 29 351.313 4 ↓
Lo Low (pH 4.5-6) 1.78 8.83 -39.89 3 2 1 30 352.321 4 ↓
Lo Low (pH 4.5-6) 1.78 9.13 -133.67 4 2 2 32 353.329 4 ↓

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Rings

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

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