UCSF

ZINC53940711

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 21 Yes

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

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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) 2.34 7.48 -53.49 3 2 1 31 366.348 4 ↓
Hi High (pH 8-9.5) 2.34 7.18 -3.98 2 2 0 29 365.34 4 ↓
Lo Low (pH 4.5-6) 2.34 9.53 -132.63 4 2 2 32 367.356 4 ↓
Lo Low (pH 4.5-6) 2.34 9.18 -40.84 3 2 1 30 366.348 4 ↓

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Rings

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

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