UCSF

ZINC02004348

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 20 Yes

Popular Name: 1-Propanamine, N,N-dimethyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene, hydrochloride, (E)-; LS-119506; trans-4-(3-Dimethylaminopropylidene)-9H-thieno(2,3-b)benzo(e)thiepin hydrochloride; trans-Dithiadene hydrochloride 1-Propanamine, N,N-dimethyl-3-th…

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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) 4.16 1.11 -38.27 1 1 1 4 302.488 3 ↓

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